1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide

C16H13Cl2N3O2S — CID 157375331

IUPAC1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide
SMILESCc1cnc(-n2cccc2S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-9-14(18)16(19-10-11)21-8-2-3-15(21)24(22,23)20-13-6-4-12(17)5-7-13/h2-10,20H,1H3
InChIKeyLWMNSKOPVOXTHI-UHFFFAOYSA-N
MW382.27 g/mol
LogP4.29
Rot. Bonds4

About 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide

1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide (PubChem CID 157375331) has the molecular formula C16H13Cl2N3O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide.

Molecular Properties

Compound Name1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide
PubChem CID157375331
Molecular FormulaC16H13Cl2N3O2S
Molecular Weight382.27 g/mol
Exact Mass381.01
IUPAC Name1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide
SMILESCc1cnc(-n2cccc2S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O2S/c1-11-9-14(18)16(19-10-11)21-8-2-3-15(21)24(22,23)20-13-6-4-12(17)5-7-13/h2-10,20H,1H3
InChIKeyLWMNSKOPVOXTHI-UHFFFAOYSA-N
XLogP4.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70138441
1-(3-chloro-2-pyridinyl)-N-(4-fluoro-3-methylphenyl)pyrrole-2-sulfonamide
CID 70139614
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3-methylphenyl)imidazole-4-sulfonamide
CID 131973043
3-(3-chloro-5-methyl-2-pyridinyl)-N-(3,5-dimethylphenyl)imidazole-4-sulfonamide
CID 131973042
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methoxy-5-methylphenyl)pyrrole-2-sulfonamide
CID 70138416
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-methylphenyl)pyrrole-2-sulfonamide
CID 90379792
N-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidin-4-yl)pyrrole-2-sulfonamide
CID 131973050
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
methyl 1-(5-bromo-3-chloro-2-pyridinyl)pyrrole-2-carboxylate
CID 69084109

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide?
The IUPAC name of 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide (CID 157375331) is 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide.
What is the SMILES notation for 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide?
The canonical SMILES for 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide is Cc1cnc(-n2cccc2S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide?
The InChIKey is LWMNSKOPVOXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S/c1-11-9-14(18)16(19-10-11)21-8-2-3-15(21)24(22,23)20-13-6-4-12(17)5-7-13/h2-10,20H,1H3.
What are the key properties of 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide?
1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide has a molecular weight of 382.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methyl-2-pyridinyl)-N-(4-chlorophenyl)pyrrole-2-sulfonamide is sourced from PubChem (CID 157375331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).