4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride

C16H19Cl2N3O3S — CID 22711079

IUPAC4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.Cl
InChIInChI=1S/C16H18ClN3O3S.ClH/c1-18-16(21)15-10-20(7-6-19-15)24(22,23)14-5-3-11-8-13(17)4-2-12(11)9-14;/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,18,21);1H
InChIKeyPDEAZJDEQDPZHR-UHFFFAOYSA-N
MW404.32 g/mol
LogP1.62
Rot. Bonds3

About 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride

4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride (PubChem CID 22711079) has the molecular formula C16H19Cl2N3O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride
PubChem CID22711079
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC Name4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.Cl
InChIInChI=1S/C16H18ClN3O3S.ClH/c1-18-16(21)15-10-20(7-6-19-15)24(22,23)14-5-3-11-8-13(17)4-2-12(11)9-14;/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,18,21);1H
InChIKeyPDEAZJDEQDPZHR-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carboxylate;hydrochloride
CID 22710075
ethyl 2-[2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-2-carbonyl]hydrazinyl]acetate
CID 22710558
bis[4-(4-methylphenyl)sulfonylpiperazin-2-yl]methanone
CID 174594643
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazine-2-carboxamide
CID 10256934
tert-butyl N-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]carbamate
CID 22727220
4-(6-chloronaphthalen-2-yl)sulfonyl-1-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 139897224
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride?
The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride (CID 22711079) is 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride is CNC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1.Cl.
What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride?
The InChIKey is PDEAZJDEQDPZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S.ClH/c1-18-16(21)15-10-20(7-6-19-15)24(22,23)14-5-3-11-8-13(17)4-2-12(11)9-14;/h2-5,8-9,15,19H,6-7,10H2,1H3,(H,18,21);1H.
What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride?
4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride has a molecular weight of 404.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpiperazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 22711079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).