4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid

C12H16ClN3O4S — CID 126508192

IUPAC4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid
SMILESCC1CN(S(=O)(=O)Nc2cccc(Cl)c2)CCN1C(=O)O
InChIInChI=1S/C12H16ClN3O4S/c1-9-8-15(5-6-16(9)12(17)18)21(19,20)14-11-4-2-3-10(13)7-11/h2-4,7,9,14H,5-6,8H2,1H3,(H,17,18)
InChIKeyUVJCMZIREIVPKE-UHFFFAOYSA-N
MW333.80 g/mol
LogP1.68
Rot. Bonds3

About 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid

4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid (PubChem CID 126508192) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid
PubChem CID126508192
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC Name4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid
SMILESCC1CN(S(=O)(=O)Nc2cccc(Cl)c2)CCN1C(=O)O
InChIInChI=1S/C12H16ClN3O4S/c1-9-8-15(5-6-16(9)12(17)18)21(19,20)14-11-4-2-3-10(13)7-11/h2-4,7,9,14H,5-6,8H2,1H3,(H,17,18)
InChIKeyUVJCMZIREIVPKE-UHFFFAOYSA-N
XLogP1.68
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-4-(phenylsulfamoyl)piperazine-1-carboxylic acid
CID 126509085
tert-butyl (2S)-4-[(3-chlorophenyl)methylsulfonyl]-2-methylpiperazine-1-carboxylate
CID 97177065
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119472953
methyl 6-chloro-2-[(3-chlorophenyl)sulfamoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-4-carboxylate
CID 146388025
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-sulfonamide
CID 95337073
2-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3-chlorophenyl)-2-oxoacetamide
CID 129429874
N-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-sulfonamide
CID 110865813
1-[(2R)-4-ethylsulfonyl-2-methylpiperazin-1-yl]-2-(3-hydroxyphenyl)propan-1-one
CID 138023492
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
N-(3-chlorophenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119580020
2-chloro-4-[(3-methoxyazetidin-1-yl)sulfonylamino]benzoic acid
CID 166208292

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid (CID 126508192) is 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid is CC1CN(S(=O)(=O)Nc2cccc(Cl)c2)CCN1C(=O)O.
What is the InChIKey of 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid?
The InChIKey is UVJCMZIREIVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c1-9-8-15(5-6-16(9)12(17)18)21(19,20)14-11-4-2-3-10(13)7-11/h2-4,7,9,14H,5-6,8H2,1H3,(H,17,18).
What are the key properties of 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid?
4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid has a molecular weight of 333.80 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)sulfamoyl]-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 126508192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).