3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide

C10H10BrN3O4S3 — CID 61062460

IUPAC3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)Nc1cccc(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C10H10BrN3O4S3/c11-9-4-5-19-10(9)20(15,16)13-7-2-1-3-8(6-7)14-21(12,17)18/h1-6,13-14H,(H2,12,17,18)
InChIKeySFCHHAXFEBAAQA-UHFFFAOYSA-N
MW412.31 g/mol
LogP1.93
Rot. Bonds5

About 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide

3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide (PubChem CID 61062460) has the molecular formula C10H10BrN3O4S3 and a molecular weight of 412.31 g/mol. Its IUPAC name is 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
PubChem CID61062460
Molecular FormulaC10H10BrN3O4S3
Molecular Weight412.31 g/mol
Exact Mass410.90
IUPAC Name3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)Nc1cccc(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C10H10BrN3O4S3/c11-9-4-5-19-10(9)20(15,16)13-7-2-1-3-8(6-7)14-21(12,17)18/h1-6,13-14H,(H2,12,17,18)
InChIKeySFCHHAXFEBAAQA-UHFFFAOYSA-N
XLogP1.93
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide (CID 61062460) is 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide is NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2sccc2Br)c1.
What is the InChIKey of 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide?
The InChIKey is SFCHHAXFEBAAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O4S3/c11-9-4-5-19-10(9)20(15,16)13-7-2-1-3-8(6-7)14-21(12,17)18/h1-6,13-14H,(H2,12,17,18).
What are the key properties of 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide?
3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide has a molecular weight of 412.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(sulfamoylamino)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61062460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).