N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride

C19H24ClN3O3S — CID 120571735

IUPACN-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1C.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-15(2)22(13-12-20-14)19(23)16-8-10-17(11-9-16)21-26(24,25)18-6-4-3-5-7-18;/h3-11,14-15,20-21H,12-13H2,1-2H3;1H
InChIKeyVXLILEQADATQGQ-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.73
Rot. Bonds4

About N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride

N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride (PubChem CID 120571735) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
PubChem CID120571735
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1C.Cl
InChIInChI=1S/C19H23N3O3S.ClH/c1-14-15(2)22(13-12-20-14)19(23)16-8-10-17(11-9-16)21-26(24,25)18-6-4-3-5-7-18;/h3-11,14-15,20-21H,12-13H2,1-2H3;1H
InChIKeyVXLILEQADATQGQ-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dimethylpiperazine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 120569814
(2,3-dimethylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 120571312
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 120570067
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 120570068
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 120570714
N-[4-[(4R,4aR,8aR)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]benzenesulfonamide
CID 51724472
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
(2,3-dimethylpiperazin-1-yl)-[4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]methanone;hydrochloride
CID 120572196
(2,3-dimethylpiperazin-1-yl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 120572727
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 119633913
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride (CID 120571735) is N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride is CC1NCCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1C.Cl.
What is the InChIKey of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride?
The InChIKey is VXLILEQADATQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S.ClH/c1-14-15(2)22(13-12-20-14)19(23)16-8-10-17(11-9-16)21-26(24,25)18-6-4-3-5-7-18;/h3-11,14-15,20-21H,12-13H2,1-2H3;1H.
What are the key properties of N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride?
N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylpiperazine-1-carbonyl)phenyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120571735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).