N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C15H22N2O3S — CID 26532430

IUPACN-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-12(2)16-15(18)13-6-8-14(9-7-13)21(19,20)17-10-4-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyPJGZXZADSFVAEA-LBPRGKRZSA-N
MW310.42 g/mol
LogP2.00
Rot. Bonds5

About N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26532430) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26532430
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-3-12(2)16-15(18)13-6-8-14(9-7-13)21(19,20)17-10-4-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyPJGZXZADSFVAEA-LBPRGKRZSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8733150
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51857370
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682822
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18146405

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 26532430) is N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PJGZXZADSFVAEA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-12(2)16-15(18)13-6-8-14(9-7-13)21(19,20)17-10-4-5-11-17/h6-9,12H,3-5,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26532430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).