N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C18H21Cl2N3O3S — CID 119472953

IUPACN-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C18H20ClN3O3S.ClH/c1-13-12-20-8-9-22(13)18(23)14-4-2-7-17(10-14)26(24,25)21-16-6-3-5-15(19)11-16;/h2-7,10-11,13,20-21H,8-9,12H2,1H3;1H
InChIKeyMMHIMIKYANFGMV-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.00
Rot. Bonds4

About N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119472953) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119472953
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC NameN-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCC1CNCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.Cl
InChIInChI=1S/C18H20ClN3O3S.ClH/c1-13-12-20-8-9-22(13)18(23)14-4-2-7-17(10-14)26(24,25)21-16-6-3-5-15(19)11-16;/h2-7,10-11,13,20-21H,8-9,12H2,1H3;1H
InChIKeyMMHIMIKYANFGMV-UHFFFAOYSA-N
XLogP3.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470409
N-[3-(2-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 119470172
N-(3-chlorophenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119580020
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
(2-methylpiperazin-1-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 119472047
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 2632900
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119470414
N-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 26011766

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119472953) is N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is CC1CNCCN1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.Cl.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is MMHIMIKYANFGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S.ClH/c1-13-12-20-8-9-22(13)18(23)14-4-2-7-17(10-14)26(24,25)21-16-6-3-5-15(19)11-16;/h2-7,10-11,13,20-21H,8-9,12H2,1H3;1H.
What are the key properties of N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 430.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119472953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).