N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide

C17H18BrNO2S — CID 160760777

IUPACN-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(c1cccc(Br)c1)C1CC1
InChIInChI=1S/C17H18BrNO2S/c1-12-5-2-3-8-16(12)22(20,21)19-17(13-9-10-13)14-6-4-7-15(18)11-14/h2-8,11,13,17,19H,9-10H2,1H3
InChIKeyRYAOEGAFOVPXGH-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.19
Rot. Bonds5

About N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide

N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide (PubChem CID 160760777) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide
PubChem CID160760777
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC NameN-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(c1cccc(Br)c1)C1CC1
InChIInChI=1S/C17H18BrNO2S/c1-12-5-2-3-8-16(12)22(20,21)19-17(13-9-10-13)14-6-4-7-15(18)11-14/h2-8,11,13,17,19H,9-10H2,1H3
InChIKeyRYAOEGAFOVPXGH-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[cyclopropyl(phenyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79998796
N-[(S)-cyclopropyl(phenyl)methyl]methanesulfonamide
CID 94197122
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 63420635
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
7-bromo-N-[(R)-cyclopropyl(phenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 96542945
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
3-bromo-N-[cyclopropyl(phenyl)methyl]-4-methoxybenzenesulfonamide
CID 24679031
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
CID 30037407
3-bromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-sulfonamide
CID 61074037
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
N-[cyclopropyl-(4-methylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 42929072

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide (CID 160760777) is N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC(c1cccc(Br)c1)C1CC1.
What is the InChIKey of N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide?
The InChIKey is RYAOEGAFOVPXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-12-5-2-3-8-16(12)22(20,21)19-17(13-9-10-13)14-6-4-7-15(18)11-14/h2-8,11,13,17,19H,9-10H2,1H3.
What are the key properties of N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide?
N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide has a molecular weight of 380.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-cyclopropylmethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 160760777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).