5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C16H15ClN4O4S3 — CID 19683779

IUPAC5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc(C)n1
InChIInChI=1S/C16H15ClN4O4S3/c1-10-9-15(19-11(2)18-10)21-27(22,23)13-5-3-12(4-6-13)20-28(24,25)16-8-7-14(17)26-16/h3-9,20H,1-2H3,(H,18,19,21)
InChIKeyKZJQFYISTJDEJR-UHFFFAOYSA-N
MW458.97 g/mol
LogP3.41
Rot. Bonds6

About 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 19683779) has the molecular formula C16H15ClN4O4S3 and a molecular weight of 458.97 g/mol. Its IUPAC name is 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID19683779
Molecular FormulaC16H15ClN4O4S3
Molecular Weight458.97 g/mol
Exact Mass457.99
IUPAC Name5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc(C)n1
InChIInChI=1S/C16H15ClN4O4S3/c1-10-9-15(19-11(2)18-10)21-27(22,23)13-5-3-12(4-6-13)20-28(24,25)16-8-7-14(17)26-16/h3-9,20H,1-2H3,(H,18,19,21)
InChIKeyKZJQFYISTJDEJR-UHFFFAOYSA-N
XLogP3.41
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 19683795
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-hydroxybenzenesulfonamide
CID 74228383
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
CID 66643389
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 4146785
5-chloro-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]thiophene-2-sulfonamide
CID 122296879
5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326160
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
2-(4-chlorophenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
CID 5008824
1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 4803264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 19683779) is 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)nc(C)n1.
What is the InChIKey of 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is KZJQFYISTJDEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S3/c1-10-9-15(19-11(2)18-10)21-27(22,23)13-5-3-12(4-6-13)20-28(24,25)16-8-7-14(17)26-16/h3-9,20H,1-2H3,(H,18,19,21).
What are the key properties of 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 458.97 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 19683779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).