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

C16H13BrN2O4S3 — CID 4876287

IUPACN-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H13BrN2O4S3/c17-12-6-8-13(9-7-12)18-25(20,21)15-4-1-3-14(11-15)19-26(22,23)16-5-2-10-24-16/h1-11,18-19H
InChIKeyBXKSPJYIEWGXSD-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.11
Rot. Bonds6

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

N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 4876287) has the molecular formula C16H13BrN2O4S3 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID4876287
Molecular FormulaC16H13BrN2O4S3
Molecular Weight473.40 g/mol
Exact Mass471.92
IUPAC NameN-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H13BrN2O4S3/c17-12-6-8-13(9-7-12)18-25(20,21)15-4-1-3-14(11-15)19-26(22,23)16-5-2-10-24-16/h1-11,18-19H
InChIKeyBXKSPJYIEWGXSD-UHFFFAOYSA-N
XLogP4.11
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide (CID 4876287) is N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is BXKSPJYIEWGXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4S3/c17-12-6-8-13(9-7-12)18-25(20,21)15-4-1-3-14(11-15)19-26(22,23)16-5-2-10-24-16/h1-11,18-19H.
What are the key properties of N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide?
N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 473.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4876287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).