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

C17H16N2O5S3 — CID 1092869

IUPACN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C17H16N2O5S3/c1-24-15-8-4-13(5-9-15)18-26(20,21)16-10-6-14(7-11-16)19-27(22,23)17-3-2-12-25-17/h2-12,18-19H,1H3
InChIKeyJYUZNXUFXMUSGD-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.36
Rot. Bonds7

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

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 1092869) has the molecular formula C17H16N2O5S3 and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID1092869
Molecular FormulaC17H16N2O5S3
Molecular Weight424.53 g/mol
Exact Mass424.02
IUPAC NameN-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C17H16N2O5S3/c1-24-15-8-4-13(5-9-15)18-26(20,21)16-10-6-14(7-11-16)19-27(22,23)17-3-2-12-25-17/h2-12,18-19H,1H3
InChIKeyJYUZNXUFXMUSGD-UHFFFAOYSA-N
XLogP3.36
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 5002728
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 42998818
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-(4-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 1092315

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 1092869) is N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is JYUZNXUFXMUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S3/c1-24-15-8-4-13(5-9-15)18-26(20,21)16-10-6-14(7-11-16)19-27(22,23)17-3-2-12-25-17/h2-12,18-19H,1H3.
What are the key properties of N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 424.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1092869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).