3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide

C10H12BrNO3S — CID 880441

IUPAC3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1Br
InChIInChI=1S/C10H12BrNO3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyFTBKUKITYFSDCQ-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.90
Rot. Bonds4

About 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide

3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide (PubChem CID 880441) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
PubChem CID880441
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1Br
InChIInChI=1S/C10H12BrNO3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3H2,1H3
InChIKeyFTBKUKITYFSDCQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
N-cyclopropyl-4-ethoxybenzenesulfonamide
CID 848357
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464
1-(3-Bromo-4-methoxyphenyl)sulfonylpiperidine
CID 738615
3-bromo-N-cyclopentyl-4-methoxybenzenesulfonamide
CID 765790
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]azepane
CID 800461
4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 850060
5-bromo-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 1587715
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 807886
3-Bromo-4-ethoxybenzene-1-sulfonamide
CID 43164336

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide (CID 880441) is 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
The InChIKey is FTBKUKITYFSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-15-10-5-4-8(6-9(10)11)16(13,14)12-7-2-3-7/h4-7,12H,2-3H2,1H3.
What are the key properties of 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide?
3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 880441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).