N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide

C18H23ClN2O2S — CID 11496252

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-14-4-10-17(11-5-14)24(22,23)20-18(12-13-21(2)3)15-6-8-16(19)9-7-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyFLDYOAPQWUARBK-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.62
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide (PubChem CID 11496252) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
PubChem CID11496252
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2O2S/c1-14-4-10-17(11-5-14)24(22,23)20-18(12-13-21(2)3)15-6-8-16(19)9-7-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyFLDYOAPQWUARBK-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide (CID 11496252) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide?
The InChIKey is FLDYOAPQWUARBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-14-4-10-17(11-5-14)24(22,23)20-18(12-13-21(2)3)15-6-8-16(19)9-7-15/h4-11,18,20H,12-13H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide has a molecular weight of 366.91 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11496252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).