5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide

C10H7BrN2O4S2 — CID 2198378

IUPAC5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C10H7BrN2O4S2/c11-9-4-5-10(18-9)19(16,17)12-7-2-1-3-8(6-7)13(14)15/h1-6,12H
InChIKeyZPBHEIYFGSVANR-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.22
Rot. Bonds4

About 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide

5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide (PubChem CID 2198378) has the molecular formula C10H7BrN2O4S2 and a molecular weight of 363.21 g/mol. Its IUPAC name is 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
PubChem CID2198378
Molecular FormulaC10H7BrN2O4S2
Molecular Weight363.21 g/mol
Exact Mass361.90
IUPAC Name5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C10H7BrN2O4S2/c11-9-4-5-10(18-9)19(16,17)12-7-2-1-3-8(6-7)13(14)15/h1-6,12H
InChIKeyZPBHEIYFGSVANR-UHFFFAOYSA-N
XLogP3.22
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 2426387
2-bromo-N-(3-nitrophenyl)benzenesulfonamide
CID 26952317
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
5-bromo-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126134587
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
1-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075750
3-[(5-bromothiophen-2-yl)sulfonylamino]benzenecarbothioamide
CID 43343845
CID 89107790
CID 89107790
5-bromo-N-(4-bromo-2-nitrophenyl)thiophene-2-sulfonamide
CID 61392311
5-bromo-N-[3-(1,3-dithiolan-2-yl)phenyl]thiophene-2-sulfonamide
CID 27658375
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide (CID 2198378) is 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide is O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide?
The InChIKey is ZPBHEIYFGSVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O4S2/c11-9-4-5-10(18-9)19(16,17)12-7-2-1-3-8(6-7)13(14)15/h1-6,12H.
What are the key properties of 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide?
5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide has a molecular weight of 363.21 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-nitrophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2198378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).