6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide

C14H16ClN3O4S2 — CID 4875200

IUPAC6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H16ClN3O4S2/c1-10-4-5-11(8-13(10)24(21,22)18(2)3)17-23(19,20)12-6-7-14(15)16-9-12/h4-9,17H,1-3H3
InChIKeyHCGGLKSHMVNEPV-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.09
Rot. Bonds5

About 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide

6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide (PubChem CID 4875200) has the molecular formula C14H16ClN3O4S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
PubChem CID4875200
Molecular FormulaC14H16ClN3O4S2
Molecular Weight389.89 g/mol
Exact Mass389.03
IUPAC Name6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H16ClN3O4S2/c1-10-4-5-11(8-13(10)24(21,22)18(2)3)17-23(19,20)12-6-7-14(15)16-9-12/h4-9,17H,1-3H3
InChIKeyHCGGLKSHMVNEPV-UHFFFAOYSA-N
XLogP2.09
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 5021993
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
6-chloro-N-(3-chloro-4-cyanophenyl)pyridine-3-sulfonamide
CID 43236398
methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2,6-difluorobenzenesulfonamide
CID 4878108
6-amino-N-(3-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 62164219
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
N-(6-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 66545246

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide (CID 4875200) is 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide?
The InChIKey is HCGGLKSHMVNEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S2/c1-10-4-5-11(8-13(10)24(21,22)18(2)3)17-23(19,20)12-6-7-14(15)16-9-12/h4-9,17H,1-3H3.
What are the key properties of 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide?
6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide has a molecular weight of 389.89 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 4875200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).