4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide

C19H22N2O3S — CID 51926702

IUPAC4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)25(23,24)18-11-9-17(10-12-18)19(20)22/h2-6,9-12,14,16H,7-8,13H2,1H3,(H2,20,22)/t14-/m0/s1
InChIKeyYYRDVIPOIVKFSC-AWEZNQCLSA-N
MW358.46 g/mol
LogP2.77
Rot. Bonds7

About 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide

4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide (PubChem CID 51926702) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
PubChem CID51926702
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide
SMILESC[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)25(23,24)18-11-9-17(10-12-18)19(20)22/h2-6,9-12,14,16H,7-8,13H2,1H3,(H2,20,22)/t14-/m0/s1
InChIKeyYYRDVIPOIVKFSC-AWEZNQCLSA-N
XLogP2.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
CID 51169070
N-benzyl-N-(1-cyclopropylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 74614197
4-[[cyclopropyl-[(1S)-1-cyclopropylethyl]amino]methyl]benzamide
CID 36965111
methyl 3-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]-4-chlorobenzoate
CID 35299124
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
4-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 43063392
N-benzyl-2-bromo-N-(1-cyclopropylethyl)-4,5-dimethoxybenzenesulfonamide
CID 74633975
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
3-[(4-carbamoylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62826009
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
N-benzyl-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-cyclopropylethyl)acetamide
CID 75854502

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide?
The IUPAC name of 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide (CID 51926702) is 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide?
The canonical SMILES for 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide is C[C@@H](C1CC1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide?
The InChIKey is YYRDVIPOIVKFSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(16-7-8-16)21(13-15-5-3-2-4-6-15)25(23,24)18-11-9-17(10-12-18)19(20)22/h2-6,9-12,14,16H,7-8,13H2,1H3,(H2,20,22)/t14-/m0/s1.
What are the key properties of 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide?
4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl-[(1S)-1-cyclopropylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 51926702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).