4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide

C16H13ClN4O3S2 — CID 154848341

IUPAC4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cscc3Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O3S2/c1-10-6-7-18-16(19-10)21-26(23,24)12-4-2-11(3-5-12)20-15(22)13-8-25-9-14(13)17/h2-9H,1H3,(H,20,22)(H,18,19,21)
InChIKeyJPUPFUNHDHEIPW-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.55
Rot. Bonds5

About 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide

4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 154848341) has the molecular formula C16H13ClN4O3S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
PubChem CID154848341
Molecular FormulaC16H13ClN4O3S2
Molecular Weight408.89 g/mol
Exact Mass408.01
IUPAC Name4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cscc3Cl)cc2)n1
InChIInChI=1S/C16H13ClN4O3S2/c1-10-6-7-18-16(19-10)21-26(23,24)12-4-2-11(3-5-12)20-15(22)13-8-25-9-14(13)17/h2-9H,1H3,(H,20,22)(H,18,19,21)
InChIKeyJPUPFUNHDHEIPW-UHFFFAOYSA-N
XLogP3.55
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99943631
5-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 2237376
4-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 38011101
4-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150961
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43909240
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
3-methoxy-1-methyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079900
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
2-(2-methoxyethylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 25239822
4-(ethylsulfonylamino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 19683635
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide (CID 154848341) is 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cscc3Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is JPUPFUNHDHEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S2/c1-10-6-7-18-16(19-10)21-26(23,24)12-4-2-11(3-5-12)20-15(22)13-8-25-9-14(13)17/h2-9H,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide?
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 154848341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).