3-chloro-4-methyl-N-propylbenzenesulfonamide

C10H14ClNO2S — CID 47190042

IUPAC3-chloro-4-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-3-6-12-15(13,14)9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyQZFAQQJMCLNHLR-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.34
Rot. Bonds4

About 3-chloro-4-methyl-N-propylbenzenesulfonamide

3-chloro-4-methyl-N-propylbenzenesulfonamide (PubChem CID 47190042) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-propylbenzenesulfonamide
PubChem CID47190042
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name3-chloro-4-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C10H14ClNO2S/c1-3-6-12-15(13,14)9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyQZFAQQJMCLNHLR-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-propylbenzenesulfonamide (CID 47190042) is 3-chloro-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is QZFAQQJMCLNHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c1-3-6-12-15(13,14)9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-propylbenzenesulfonamide?
3-chloro-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 247.75 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 47190042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).