N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide

C16H18BrNO2S — CID 158492004

IUPACN-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(C)c1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-3-16(13-7-5-8-14(17)11-13)18-21(19,20)15-9-4-6-12(2)10-15/h4-11,16,18H,3H2,1-2H3
InChIKeyMXINOVJFOYRVQT-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.19
Rot. Bonds5

About N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide

N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide (PubChem CID 158492004) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide
PubChem CID158492004
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(C)c1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2S/c1-3-16(13-7-5-8-14(17)11-13)18-21(19,20)15-9-4-6-12(2)10-15/h4-11,16,18H,3H2,1-2H3
InChIKeyMXINOVJFOYRVQT-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
3-bromo-N-(2-chloro-1-phenylethyl)benzenesulfonamide
CID 65031227
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
CID 63421088
N-[(S)-(3-bromophenyl)-phenylmethyl]-4-methylbenzenesulfonamide
CID 102281478
N-(1-cyanobutan-2-yl)-3-methylbenzenesulfonamide
CID 62647600
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide (CID 158492004) is N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide is CCC(NS(=O)(=O)c1cccc(C)c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide?
The InChIKey is MXINOVJFOYRVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-3-16(13-7-5-8-14(17)11-13)18-21(19,20)15-9-4-6-12(2)10-15/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide?
N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide has a molecular weight of 368.30 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-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 158492004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).