2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol — IUPAC name, SMILES, InChIKey & properties

Name: 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol

2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol (PubChem CID 159257248) has the molecular formula C119H143ClN12O9S3 and a molecular weight of 2017.18 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name	2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
PubChem CID	159257248
Molecular Formula	C119H143ClN12O9S3
Molecular Weight	2017.18 g/mol
Exact Mass	2015.00
IUPAC Name	2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
SMILES	CC(C)c1ccc(-c2ccccc2Cl)nc1.CC(C)c1ccc(C(C)C)nc1.COc1ccccc1Nc1ccc(C(C)C)cn1.Cc1ccc(S(=O)(=O)c2ncccc2C(C)C)cc1.Cc1ncc(C(C)C)cc1-c1ccc(C(N)=O)cc1.Cc1ncc(C(C)C)cc1-c1cccc(CO)c1.Cc1ncc(C(C)C)cc1-c1cccc(S(=O)(=O)N(C)C)c1.Cc1ncc(C(C)C)cc1-c1cccc(S(N)(=O)=O)c1
InChI	InChI=1S/C17H22N2O2S.C16H18N2O.C16H19NO.C15H18N2O2S.C15H18N2O.C15H17NO2S.C14H14ClN.C11H17N/c1-12(2)15-10-17(13(3)18-11-15)14-7-6-8-16(9-14)22(20,21)19(4)5;1-10(2)14-8-15(11(3)18-9-14)12-4-6-13(7-5-12)16(17)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-5-13(7-14)10-18;1-10(2)13-8-15(11(3)17-9-13)12-5-4-6-14(7-12)20(16,18)19;1-11(2)12-8-9-15(16-10-12)17-13-6-4-5-7-14(13)18-3;1-11(2)14-5-4-10-16-15(14)19(17,18)13-8-6-12(3)7-9-13;1-10(2)11-7-8-14(16-9-11)12-5-3-4-6-13(12)15;1-8(2)10-5-6-11(9(3)4)12-7-10/h6-12H,1-5H3;4-10H,1-3H3,(H2,17,19);4-9,11,18H,10H2,1-3H3;4-10H,1-3H3,(H2,16,18,19);4-11H,1-3H3,(H,16,17);4-11H,1-3H3;3-10H,1-2H3;5-9H,1-4H3
InChIKey	KWAZZPDYEGWYQN-UHFFFAOYSA-N
XLogP	28.37
TPSA	319.38 Å²
H-Bond Donors	4
H-Bond Acceptors	18
Rotatable Bonds	24
Heavy Atoms	144
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2017.18
LogP ≤ 5	28.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Analyze 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol?

The IUPAC name of 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol (CID 159257248) is 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol.

What is the SMILES notation for 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol?

The canonical SMILES for 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol is CC(C)c1ccc(-c2ccccc2Cl)nc1.CC(C)c1ccc(C(C)C)nc1.COc1ccccc1Nc1ccc(C(C)C)cn1.Cc1ccc(S(=O)(=O)c2ncccc2C(C)C)cc1.Cc1ncc(C(C)C)cc1-c1ccc(C(N)=O)cc1.Cc1ncc(C(C)C)cc1-c1cccc(CO)c1.Cc1ncc(C(C)C)cc1-c1cccc(S(=O)(=O)N(C)C)c1.Cc1ncc(C(C)C)cc1-c1cccc(S(N)(=O)=O)c1.

What is the InChIKey of 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol?

The InChIKey is KWAZZPDYEGWYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.C16H18N2O.C16H19NO.C15H18N2O2S.C15H18N2O.C15H17NO2S.C14H14ClN.C11H17N/c1-12(2)15-10-17(13(3)18-11-15)14-7-6-8-16(9-14)22(20,21)19(4)5;1-10(2)14-8-15(11(3)18-9-14)12-4-6-13(7-5-12)16(17)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-5-13(7-14)10-18;1-10(2)13-8-15(11(3)17-9-13)12-5-4-6-14(7-12)20(16,18)19;1-11(2)12-8-9-15(16-10-12)17-13-6-4-5-7-14(13)18-3;1-11(2)14-5-4-10-16-15(14)19(17,18)13-8-6-12(3)7-9-13;1-10(2)11-7-8-14(16-9-11)12-5-3-4-6-13(12)15;1-8(2)10-5-6-11(9(3)4)12-7-10/h6-12H,1-5H3;4-10H,1-3H3,(H2,17,19);4-9,11,18H,10H2,1-3H3;4-10H,1-3H3,(H2,16,18,19);4-11H,1-3H3,(H,16,17);4-11H,1-3H3;3-10H,1-2H3;5-9H,1-4H3.

What are the key properties of 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol?

Where does this data come from?

All data for 2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol is sourced from PubChem (CID 159257248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).