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

C16H13ClN2O4S3 — CID 1076381

IUPACN-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H13ClN2O4S3/c17-14-4-1-2-5-15(14)19-25(20,21)13-9-7-12(8-10-13)18-26(22,23)16-6-3-11-24-16/h1-11,18-19H
InChIKeyVYXIVLMKNWFFOV-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.00
Rot. Bonds6

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

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 1076381) has the molecular formula C16H13ClN2O4S3 and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID1076381
Molecular FormulaC16H13ClN2O4S3
Molecular Weight428.94 g/mol
Exact Mass427.97
IUPAC NameN-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H13ClN2O4S3/c17-14-4-1-2-5-15(14)19-25(20,21)13-9-7-12(8-10-13)18-26(22,23)16-6-3-11-24-16/h1-11,18-19H
InChIKeyVYXIVLMKNWFFOV-UHFFFAOYSA-N
XLogP4.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.00
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-(3-chlorophenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 718460
N-[4-(phenylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 1092738
4-(4-Aminophenyl)sulfonyl-2-chloroaniline
CID 223179
N-(4,5-dichloro-2-{[(2-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970417
N-(4,5-dichloro-2-{[(4-fluorophenyl)sulfonyl]amino}phenyl)thiophene-2-sulfonamide
CID 67970767
N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 765857
N-[4-(aminosulfonyl)phenyl]-2-thiophenesulfonamide
CID 2053788
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 5212946
N-{4-[(4-fluorophenyl)sulfamoyl]phenyl}thiophene-2-sulfonamide
CID 1091834
2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide
CID 3819677
2,5-dichloro-N-phenylthiophene-3-sulfonamide
CID 29098931

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 1076381) is N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is VYXIVLMKNWFFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S3/c17-14-4-1-2-5-15(14)19-25(20,21)13-9-7-12(8-10-13)18-26(22,23)16-6-3-11-24-16/h1-11,18-19H.
What are the key properties of N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 428.94 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1076381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).