(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C17H21ClN4O3S — CID 92725572

IUPAC(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C17H21ClN4O3S/c1-12-8-14(18)5-6-15(12)20-17(23)13-4-3-7-22(9-13)26(24,25)16-10-21(2)11-19-16/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyRJTJWAFUPHULCC-CYBMUJFWSA-N
MW396.90 g/mol
LogP2.42
Rot. Bonds4

About (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92725572) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92725572
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C17H21ClN4O3S/c1-12-8-14(18)5-6-15(12)20-17(23)13-4-3-7-22(9-13)26(24,25)16-10-21(2)11-19-16/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyRJTJWAFUPHULCC-CYBMUJFWSA-N
XLogP2.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958671
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707
(3R)-N-(4-chloro-2-methylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780070
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710882
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
(3R)-N-(2-chloro-4-methylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073350
(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886
1-(1-methylimidazol-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 50794744
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
N-(4-chloro-2-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5164902
(3R)-N-(2,5-dimethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073513

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 92725572) is (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is RJTJWAFUPHULCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-12-8-14(18)5-6-15(12)20-17(23)13-4-3-7-22(9-13)26(24,25)16-10-21(2)11-19-16/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92725572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).