N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C15H22N2O4S2 — CID 8817025

IUPACN-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1
InChIInChI=1S/C15H22N2O4S2/c1-12(13-4-5-13)16-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-2-3-11-17/h6-9,12-13,16H,2-5,10-11H2,1H3/t12-/m1/s1
InChIKeyWTTFBGDSDYNQDE-GFCCVEGCSA-N
MW358.49 g/mol
LogP1.55
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 8817025) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID8817025
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC NameN-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1
InChIInChI=1S/C15H22N2O4S2/c1-12(13-4-5-13)16-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-2-3-11-17/h6-9,12-13,16H,2-5,10-11H2,1H3/t12-/m1/s1
InChIKeyWTTFBGDSDYNQDE-GFCCVEGCSA-N
XLogP1.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823570
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
CID 43533575
N-[(1S)-1-cyclopropylethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 9026150
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide;hydrochloride
CID 119986541

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 8817025) is N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is WTTFBGDSDYNQDE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-12(13-4-5-13)16-22(18,19)14-6-8-15(9-7-14)23(20,21)17-10-2-3-11-17/h6-9,12-13,16H,2-5,10-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 8817025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).