3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide

C16H18ClNO2S — CID 18271278

IUPAC3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C16H18ClNO2S/c1-3-16(13-9-7-12(2)8-10-13)18-21(19,20)15-6-4-5-14(17)11-15/h4-11,16,18H,3H2,1-2H3
InChIKeySKCQFXSBDMAKME-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.08
Rot. Bonds5

About 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide

3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide (PubChem CID 18271278) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
PubChem CID18271278
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1cccc(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C16H18ClNO2S/c1-3-16(13-9-7-12(2)8-10-13)18-21(19,20)15-6-4-5-14(17)11-15/h4-11,16,18H,3H2,1-2H3
InChIKeySKCQFXSBDMAKME-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 18279348
N-[1-(4-methylphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43001317
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
N-[1-(3-bromophenyl)propyl]-3-methylbenzenesulfonamide
CID 158492004
(3S)-3-[(3,5-dichlorophenyl)sulfonylamino]-3-(4-methylphenyl)propanoic acid
CID 9267903
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(4-methylphenyl)propyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61247679
N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide
CID 164954176
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide (CID 18271278) is 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1cccc(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is SKCQFXSBDMAKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-16(13-9-7-12(2)8-10-13)18-21(19,20)15-6-4-5-14(17)11-15/h4-11,16,18H,3H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 18271278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).