N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

C17H16N2O4S3 — CID 1092856

IUPACN-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C17H16N2O4S3/c1-13-4-2-5-15(12-13)19-25(20,21)16-9-7-14(8-10-16)18-26(22,23)17-6-3-11-24-17/h2-12,18-19H,1H3
InChIKeyKOIQBYWJXAINHF-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.66
Rot. Bonds6

About N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 1092856) has the molecular formula C17H16N2O4S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID1092856
Molecular FormulaC17H16N2O4S3
Molecular Weight408.53 g/mol
Exact Mass408.03
IUPAC NameN-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C17H16N2O4S3/c1-13-4-2-5-15(12-13)19-25(20,21)16-9-7-14(8-10-16)18-26(22,23)17-6-3-11-24-17/h2-12,18-19H,1H3
InChIKeyKOIQBYWJXAINHF-UHFFFAOYSA-N
XLogP3.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid
CID 1475
N-(5-(5-Cyanothiophen-2-yl)-2-methylphenyl)-4-methylbenzenesulfonamide
CID 46847888
N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 1092738
N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 2068299
N-Isobutyl-N-[5-(4-methanesulfonylamino-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 71622397
N-[[5-[3-(methanesulfonamido)phenyl]thiophen-2-yl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700756
N-(1-naphthyl)-2-thiophenesulfonamide
CID 736201
N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 970857
N-[3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)phenyl]thiophene-2-Sulfonamide
CID 71297184
2,5-dimethyl-N-(naphthalen-2-yl)thiophene-3-sulfonamide
CID 687985
N-[4-(cyanomethyl)phenyl]thiophene-2-sulfonamide
CID 846313
N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide
CID 2964794

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 1092856) is N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is KOIQBYWJXAINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S3/c1-13-4-2-5-15(12-13)19-25(20,21)16-9-7-14(8-10-16)18-26(22,23)17-6-3-11-24-17/h2-12,18-19H,1H3.
What are the key properties of N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 408.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1092856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).