N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide

C17H16Cl2N4O2S — CID 108781459

IUPACN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ncc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H16Cl2N4O2S/c1-10-4-5-15(11(2)6-10)26(24,25)22-16-7-12(3)21-23(16)17-14(19)8-13(18)9-20-17/h4-9,22H,1-3H3
InChIKeyBRYGOXIORWUKRK-UHFFFAOYSA-N
MW411.31 g/mol
LogP4.30
Rot. Bonds4

About N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 108781459) has the molecular formula C17H16Cl2N4O2S and a molecular weight of 411.31 g/mol. Its IUPAC name is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID108781459
Molecular FormulaC17H16Cl2N4O2S
Molecular Weight411.31 g/mol
Exact Mass410.04
IUPAC NameN-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ncc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H16Cl2N4O2S/c1-10-4-5-15(11(2)6-10)26(24,25)22-16-7-12(3)21-23(16)17-14(19)8-13(18)9-20-17/h4-9,22H,1-3H3
InChIKeyBRYGOXIORWUKRK-UHFFFAOYSA-N
XLogP4.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-methoxybenzenesulfonamide
CID 108781451
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylbenzenesulfonamide
CID 22206528
methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
CID 58158937
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide
CID 154759549
2,4-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201917
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide (CID 108781459) is N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ncc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is BRYGOXIORWUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2S/c1-10-4-5-15(11(2)6-10)26(24,25)22-16-7-12(3)21-23(16)17-14(19)8-13(18)9-20-17/h4-9,22H,1-3H3.
What are the key properties of N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 411.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 108781459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).