1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide

C16H13BrN2O4S2 — CID 17247609

IUPAC1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H13BrN2O4S2/c17-13-5-4-6-14(11-13)18-24(20,21)16-9-10-19(12-16)25(22,23)15-7-2-1-3-8-15/h1-12,18H
InChIKeyXAHIXBGMLXNMBX-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.29
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide

1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide (PubChem CID 17247609) has the molecular formula C16H13BrN2O4S2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
PubChem CID17247609
Molecular FormulaC16H13BrN2O4S2
Molecular Weight441.33 g/mol
Exact Mass439.95
IUPAC Name1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(Br)c1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H13BrN2O4S2/c17-13-5-4-6-14(11-13)18-24(20,21)16-9-10-19(12-16)25(22,23)15-7-2-1-3-8-15/h1-12,18H
InChIKeyXAHIXBGMLXNMBX-UHFFFAOYSA-N
XLogP3.29
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide
CID 17247618
3-(benzenesulfonyl)-N-(3-bromophenyl)benzenesulfonamide
CID 1310237
1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
CID 17247601
1-[3-[(3-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622073
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
3-bromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 16615708
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide (CID 17247609) is 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide is O=S(=O)(Nc1cccc(Br)c1)c1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide?
The InChIKey is XAHIXBGMLXNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O4S2/c17-13-5-4-6-14(11-13)18-24(20,21)16-9-10-19(12-16)25(22,23)15-7-2-1-3-8-15/h1-12,18H.
What are the key properties of 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide has a molecular weight of 441.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 17247609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).