4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C12H18Cl2N2O2S — CID 120723768

IUPAC4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCNC1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-7-10(13)4-5-12(9)18(16,17)15-11-3-2-6-14-8-11;/h4-5,7,11,14-15H,2-3,6,8H2,1H3;1H/t11-;/m1./s1
InChIKeySQHDVTWARZDLIV-RFVHGSKJSA-N
MW325.26 g/mol
LogP2.10
Rot. Bonds3

About 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120723768) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120723768
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCNC1.Cl
InChIInChI=1S/C12H17ClN2O2S.ClH/c1-9-7-10(13)4-5-12(9)18(16,17)15-11-3-2-6-14-8-11;/h4-5,7,11,14-15H,2-3,6,8H2,1H3;1H/t11-;/m1./s1
InChIKeySQHDVTWARZDLIV-RFVHGSKJSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716768
2-fluoro-5-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716722
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
2-fluoro-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625901
4-chloro-2-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119979704
2-bromo-4-methyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716767
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
2,4-difluoro-5-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964177
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119970980
2-bromo-4-methyl-N-piperidin-3-ylbenzenesulfonamide
CID 55204708
4-methoxy-2-methyl-N-piperidin-3-yl-5-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120707170

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120723768) is 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCNC1.Cl.
What is the InChIKey of 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is SQHDVTWARZDLIV-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H17ClN2O2S.ClH/c1-9-7-10(13)4-5-12(9)18(16,17)15-11-3-2-6-14-8-11;/h4-5,7,11,14-15H,2-3,6,8H2,1H3;1H/t11-;/m1./s1.
What are the key properties of 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride has a molecular weight of 325.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).