1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

C12H17Cl2N3O4S — CID 119984069

IUPAC1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1N.Cl
InChIInChI=1S/C12H16ClN3O4S.ClH/c1-8-7-15(5-4-10(8)14)21(19,20)12-3-2-9(13)6-11(12)16(17)18;/h2-3,6,8,10H,4-5,7,14H2,1H3;1H
InChIKeyKPEHAXHILOEPMP-UHFFFAOYSA-N
MW370.26 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119984069) has the molecular formula C12H17Cl2N3O4S and a molecular weight of 370.26 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119984069
Molecular FormulaC12H17Cl2N3O4S
Molecular Weight370.26 g/mol
Exact Mass369.03
IUPAC Name1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1N.Cl
InChIInChI=1S/C12H16ClN3O4S.ClH/c1-8-7-15(5-4-10(8)14)21(19,20)12-3-2-9(13)6-11(12)16(17)18;/h2-3,6,8,10H,4-5,7,14H2,1H3;1H
InChIKeyKPEHAXHILOEPMP-UHFFFAOYSA-N
XLogP2.03
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-2-nitrophenyl)sulfonyl-4-methylpiperidine
CID 47157198
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963067
1-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583106
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980088
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715088
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-3-methylpiperidin-4-amine
CID 80746574
2-[1-(4-chloro-2-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744905
(3R)-1-(4-chloro-2-nitrophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 95305756
1-(4-chloro-2-nitrophenyl)sulfonylpiperidine
CID 47157093
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (CID 119984069) is 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1N.Cl.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is KPEHAXHILOEPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S.ClH/c1-8-7-15(5-4-10(8)14)21(19,20)12-3-2-9(13)6-11(12)16(17)18;/h2-3,6,8,10H,4-5,7,14H2,1H3;1H.
What are the key properties of 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 370.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).