N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide

C19H27ClN2O4S — CID 68872035

IUPACN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C2CCC(O)CC2)CCCNC1
InChIInChI=1S/C19H27ClN2O4S/c1-13-16(20)4-2-5-17(13)27(25,26)19(10-3-11-21-12-19)22-18(24)14-6-8-15(23)9-7-14/h2,4-5,14-15,21,23H,3,6-12H2,1H3,(H,22,24)/t14?,15?,19-/m0/s1
InChIKeyGZTVSTLGWYLOSF-ZOJXTTQQSA-N
MW414.96 g/mol
LogP2.17
Rot. Bonds4

About N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide

N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 68872035) has the molecular formula C19H27ClN2O4S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID68872035
Molecular FormulaC19H27ClN2O4S
Molecular Weight414.96 g/mol
Exact Mass414.14
IUPAC NameN-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C2CCC(O)CC2)CCCNC1
InChIInChI=1S/C19H27ClN2O4S/c1-13-16(20)4-2-5-17(13)27(25,26)19(10-3-11-21-12-19)22-18(24)14-6-8-15(23)9-7-14/h2,4-5,14-15,21,23H,3,6-12H2,1H3,(H,22,24)/t14?,15?,19-/m0/s1
InChIKeyGZTVSTLGWYLOSF-ZOJXTTQQSA-N
XLogP2.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxycyclohexane-1-carboxamide
CID 68873124
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]benzamide
CID 68875694
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-2,2-diphenylacetamide
CID 68874156
N-[(3S)-3-naphthalen-1-ylsulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68990474
N-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68874794
N-[(3S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]cyclohexanecarboxamide
CID 68874937
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 68933615
N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide
CID 110478207
N-[(3R)-3-[3-(bromomethyl)-2,4-dichlorophenyl]sulfonylpyrrolidin-3-yl]acetamide
CID 70192376
1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpiperidine-2-carboxylic acid
CID 104595678
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide (CID 68872035) is N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)[C@@]1(NC(=O)C2CCC(O)CC2)CCCNC1.
What is the InChIKey of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is GZTVSTLGWYLOSF-ZOJXTTQQSA-N. The full InChI is InChI=1S/C19H27ClN2O4S/c1-13-16(20)4-2-5-17(13)27(25,26)19(10-3-11-21-12-19)22-18(24)14-6-8-15(23)9-7-14/h2,4-5,14-15,21,23H,3,6-12H2,1H3,(H,22,24)/t14?,15?,19-/m0/s1.
What are the key properties of N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide?
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 414.96 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 68872035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).