(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

C16H23ClN2O3S — CID 1078490

IUPAC(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O3S/c1-16(2,3)18-15(20)12-5-4-10-19(11-12)23(21,22)14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyGZTNBEBRVIORJM-LBPRGKRZSA-N
MW358.89 g/mol
LogP2.66
Rot. Bonds3

About (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 1078490) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID1078490
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H23ClN2O3S/c1-16(2,3)18-15(20)12-5-4-10-19(11-12)23(21,22)14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyGZTNBEBRVIORJM-LBPRGKRZSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302661
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
1-(4-chlorophenyl)sulfonyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]piperidine-3-carboxamide
CID 56547403
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
N-tert-butyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214812
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 92821014

Frequently Asked Questions

What is the IUPAC name of (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide (CID 1078490) is (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is GZTNBEBRVIORJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-16(2,3)18-15(20)12-5-4-10-19(11-12)23(21,22)14-8-6-13(17)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 1078490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).