2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide

C10H13BrClNO2S — CID 165481900

IUPAC2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C10H13BrClNO2S/c1-3-4-13-16(14,15)10-6-9(12)7(2)5-8(10)11/h5-6,13H,3-4H2,1-2H3
InChIKeyNXQKZXKKXKMOMG-UHFFFAOYSA-N
MW326.64 g/mol
LogP3.10
Rot. Bonds4

About 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide

2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide (PubChem CID 165481900) has the molecular formula C10H13BrClNO2S and a molecular weight of 326.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide
PubChem CID165481900
Molecular FormulaC10H13BrClNO2S
Molecular Weight326.64 g/mol
Exact Mass324.95
IUPAC Name2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)c(C)cc1Br
InChIInChI=1S/C10H13BrClNO2S/c1-3-4-13-16(14,15)10-6-9(12)7(2)5-8(10)11/h5-6,13H,3-4H2,1-2H3
InChIKeyNXQKZXKKXKMOMG-UHFFFAOYSA-N
XLogP3.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.64
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-N-ethyl-4-methylbenzene-1-sulfonamide
CID 10660198
3-Chloro-N-ethyl-4-methylbenzene-1-sulfonamide
CID 18338354
N-[2-(3-bromophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide
CID 155161927
3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
CID 170743837
2-bromo-4-methyl-N-propylbenzenesulfonamide
CID 43243390
2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 46566791
2-bromo-N-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46566803
3-chloro-4-methyl-N-propylbenzene-1-sulfonamide
CID 47190042
2-Bromo-5-chloro-4-methyl-1-[(4-methylpiperidyl)sulfonyl]benzene
CID 50876624
2-Bromo-5-chloro-4-methyl-1-[(3-methylpiperidyl)sulfonyl]benzene
CID 50876634
2-Bromo-5-chloro-4-methyl-1-[(2-methylpiperidyl)sulfonyl]benzene
CID 50876635
1-[(3,5-Dimethylpiperidyl)sulfonyl]-2-bromo-5-chloro-4-methylbenzene
CID 50876636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide (CID 165481900) is 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is NXQKZXKKXKMOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO2S/c1-3-4-13-16(14,15)10-6-9(12)7(2)5-8(10)11/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide?
2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 326.64 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 165481900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).