4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride

C14H19ClN2O3S — CID 97291407

IUPAC4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
SMILESCC[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-12-5-3-4-10-17(12)14(18)16-11-6-8-13(9-7-11)21(15,19)20/h6-9,12H,2-5,10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyAJQIZDDVUOOLBC-LBPRGKRZSA-N
MW330.84 g/mol
LogP3.41
Rot. Bonds3

About 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride

4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride (PubChem CID 97291407) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
PubChem CID97291407
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
SMILESCC[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-12-5-3-4-10-17(12)14(18)16-11-6-8-13(9-7-11)21(15,19)20/h6-9,12H,2-5,10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyAJQIZDDVUOOLBC-LBPRGKRZSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
2-(benzenesulfonylmethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90585786
(2S)-2-ethyl-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 97201683
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
The IUPAC name of 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride (CID 97291407) is 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
The canonical SMILES for 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride is CC[C@H]1CCCCN1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
The InChIKey is AJQIZDDVUOOLBC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-12-5-3-4-10-17(12)14(18)16-11-6-8-13(9-7-11)21(15,19)20/h6-9,12H,2-5,10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride?
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride has a molecular weight of 330.84 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride is sourced from PubChem (CID 97291407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).