N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C14H20N2O4S — CID 86781822

IUPACN-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S/c1-11(17)10-15-14(18)12-5-4-6-13(9-12)21(19,20)16-7-2-3-8-16/h4-6,9,11,17H,2-3,7-8,10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyAWEKROLSLDSTPL-NSHDSACASA-N
MW312.39 g/mol
LogP0.58
Rot. Bonds5

About N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 86781822) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID86781822
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S/c1-11(17)10-15-14(18)12-5-4-6-13(9-12)21(19,20)16-7-2-3-8-16/h4-6,9,11,17H,2-3,7-8,10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyAWEKROLSLDSTPL-NSHDSACASA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxypropyl)benzamide
CID 78800434
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8794882
3-(4-formylpiperazin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109062779
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2980848
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55332159

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 86781822) is N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide is C[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is AWEKROLSLDSTPL-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(17)10-15-14(18)12-5-4-6-13(9-12)21(19,20)16-7-2-3-8-16/h4-6,9,11,17H,2-3,7-8,10H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 312.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 86781822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).