N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide

C18H20ClN3O3S — CID 119470429

IUPACN-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCC1CNCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13-12-20-10-11-22(13)18(23)14-2-8-17(9-3-14)26(24,25)21-16-6-4-15(19)5-7-16/h2-9,13,20-21H,10-12H2,1H3
InChIKeyWEBKOTHBSGTFDI-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.57
Rot. Bonds4

About N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide

N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 119470429) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID119470429
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCC1CNCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13-12-20-10-11-22(13)18(23)14-2-8-17(9-3-14)26(24,25)21-16-6-4-15(19)5-7-16/h2-9,13,20-21H,10-12H2,1H3
InChIKeyWEBKOTHBSGTFDI-UHFFFAOYSA-N
XLogP2.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
4-(2-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 119472055
N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119472953
N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119470172
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471707
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-cyclopentylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471706
3,5-dichloro-N-[4-(2-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119470635
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119471892
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119470414
(3-chloro-4-iodophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866778
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide (CID 119470429) is N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide is CC1CNCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is WEBKOTHBSGTFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-12-20-10-11-22(13)18(23)14-2-8-17(9-3-14)26(24,25)21-16-6-4-15(19)5-7-16/h2-9,13,20-21H,10-12H2,1H3.
What are the key properties of N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide?
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119470429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).