3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide

C10H12BrNO2S — CID 82184304

IUPAC3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C10H12BrNO2S/c1-7-4-8(11)6-10(5-7)15(13,14)12-9-2-3-9/h4-6,9,12H,2-3H2,1H3
InChIKeyWFTHHASONVIVRY-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.20
Rot. Bonds3

About 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide

3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide (PubChem CID 82184304) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
PubChem CID82184304
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C10H12BrNO2S/c1-7-4-8(11)6-10(5-7)15(13,14)12-9-2-3-9/h4-6,9,12H,2-3H2,1H3
InChIKeyWFTHHASONVIVRY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclopropylbenzenesulfonamide
CID 8469246
4-bromo-N-ethyl-3-methylbenzene-1-sulfonamide
CID 43212850
3-bromo-N-(1-cyanoethyl)-4-methylbenzenesulfonamide
CID 75389580
4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide
CID 177381772
3-Bromo-N,N,5-trimethylbenzenesulfonamide
CID 46738695
N-Butyl 3-bromo-4-methylbenzenesulfonamide
CID 7213297
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
N-allyl-4-bromo-3-methylbenzenesulfonamide
CID 43845616
N-(3-aminopropyl)-3-bromo-5-cyanobenzenesulfonamide
CID 75430987
N-(2-aminoethyl)-3-bromo-2-methylbenzenesulfonamide
CID 86780578
N-(2-aminoethyl)-3-bromo-4-methylbenzenesulfonamide
CID 86780580
N-(3-aminopropyl)-3-bromo-4-methylbenzenesulfonamide
CID 86780588

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide (CID 82184304) is 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide is Cc1cc(Br)cc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide?
The InChIKey is WFTHHASONVIVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-7-4-8(11)6-10(5-7)15(13,14)12-9-2-3-9/h4-6,9,12H,2-3H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide?
3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-5-methylbenzenesulfonamide is sourced from PubChem (CID 82184304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).