4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide

C19H22Cl2N2O2S — CID 87374442

IUPAC4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2S/c1-14-4-2-3-5-18(14)23(13-15-6-11-19(21)22-12-15)26(24,25)17-9-7-16(20)8-10-17/h6-12,14,18H,2-5,13H2,1H3
InChIKeyNMUVEKMGKRSDCV-UHFFFAOYSA-N
MW413.37 g/mol
LogP5.16
Rot. Bonds5

About 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide

4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 87374442) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID87374442
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2S/c1-14-4-2-3-5-18(14)23(13-15-6-11-19(21)22-12-15)26(24,25)17-9-7-16(20)8-10-17/h6-12,14,18H,2-5,13H2,1H3
InChIKeyNMUVEKMGKRSDCV-UHFFFAOYSA-N
XLogP5.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78107818
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-dimethyl-4-N-[(1R,2S)-2-methylcyclohexyl]benzene-1,4-disulfonamide
CID 40629286
4-[[(4-chlorophenyl)sulfonyl-(2-methylcyclohexyl)amino]methyl]-N-(4-hydroxy-3-methyl-3-sulfanylbutan-2-yl)benzamide
CID 123159465
4-chloro-N-[(4-cyanophenyl)methyl]-N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]benzenesulfonamide
CID 66669609
6-chloro-N-cyclopropyl-N-ethylpyridine-3-sulfonamide
CID 43243310
4-chloro-N-[(1S,2S)-2-(hydroxymethyl)cycloheptyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
CID 67315189
4-chloro-N-[(1S,2R)-2-(hydroxymethyl)cycloheptyl]-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
CID 67314623
4-chloro-N-[(1S,2R)-2-(hydroxymethyl)cycloheptyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 67314555
cis-(1S,2R)-2-[(4-chlorophenyl)sulfonyl-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]amino]cyclohexane-1-carboxamide
CID 11419902
4-chloro-N-cyclopentyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]benzenesulfonamide
CID 70221445
4-chloro-N-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]-N-[[4-(1,3-oxazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 67314498
6-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102631872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide (CID 87374442) is 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1N(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is NMUVEKMGKRSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c1-14-4-2-3-5-18(14)23(13-15-6-11-19(21)22-12-15)26(24,25)17-9-7-16(20)8-10-17/h6-12,14,18H,2-5,13H2,1H3.
What are the key properties of 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide?
4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 413.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 87374442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).