3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide

C10H12BrNO2S — CID 115634617

IUPAC3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C10H12BrNO2S/c1-10(5-6-10)12-15(13,14)9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3
InChIKeyOBULXGPNUQOMOX-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.28
Rot. Bonds3

About 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide

3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 115634617) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID115634617
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C10H12BrNO2S/c1-10(5-6-10)12-15(13,14)9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3
InChIKeyOBULXGPNUQOMOX-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
3-[(1-methylcyclopentyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958356
2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
3-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357259
3-bromo-N-(1-cyanocyclooctyl)benzenesulfonamide
CID 61124967
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
N-[1-(aminomethyl)cyclopentyl]-3-bromobenzenesulfonamide;hydrochloride
CID 119980920
3-[(1-methylcyclobutyl)sulfamoyl]benzoic acid
CID 113485339
3-(hydroxymethyl)-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113486170
2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 121398580
3-[(1-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113485525
4-(4-bromophenyl)-N-(1-methylcyclopentyl)benzenesulfonamide
CID 90946350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide (CID 115634617) is 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide is CC1(NS(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is OBULXGPNUQOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-10(5-6-10)12-15(13,14)9-4-2-3-8(11)7-9/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide?
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 115634617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).