1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine

C17H27N3O3S — CID 47064925

IUPAC1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
SMILESCCCCN(C)S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H27N3O3S/c1-3-4-10-19(2)24(22,23)18-14-15-8-7-9-16(13-15)17(21)20-11-5-6-12-20/h7-9,13,18H,3-6,10-12,14H2,1-2H3
InChIKeyBEFJNEOHHAZQFA-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.99
Rot. Bonds8

About 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine

1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine (PubChem CID 47064925) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
PubChem CID47064925
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine
SMILESCCCCN(C)S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H27N3O3S/c1-3-4-10-19(2)24(22,23)18-14-15-8-7-9-16(13-15)17(21)20-11-5-6-12-20/h7-9,13,18H,3-6,10-12,14H2,1-2H3
InChIKeyBEFJNEOHHAZQFA-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
2,3,5,6-tetramethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906508
4-butyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 55722351
3-fluoro-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 47064934
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
2-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906378
N-butyl-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109063489
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine?
The IUPAC name of 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine (CID 47064925) is 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine.
What is the SMILES notation for 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine?
The canonical SMILES for 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine is CCCCN(C)S(=O)(=O)NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine?
The InChIKey is BEFJNEOHHAZQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-3-4-10-19(2)24(22,23)18-14-15-8-7-9-16(13-15)17(21)20-11-5-6-12-20/h7-9,13,18H,3-6,10-12,14H2,1-2H3.
What are the key properties of 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine?
1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine has a molecular weight of 353.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[butyl(methyl)sulfamoyl]amino]methyl]benzoyl]pyrrolidine is sourced from PubChem (CID 47064925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).