N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide

C19H23ClN2O3S — CID 55583237

IUPACN-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-18(15-6-5-7-16(20)12-15)21-19(23)14-8-10-17(11-9-14)26(24,25)22-13(2)3/h5-13,18,22H,4H2,1-3H3,(H,21,23)
InChIKeyGEJBNATZUPNEEP-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.91
Rot. Bonds7

About N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide

N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55583237) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID55583237
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O3S/c1-4-18(15-6-5-7-16(20)12-15)21-19(23)14-8-10-17(11-9-14)26(24,25)22-13(2)3/h5-13,18,22H,4H2,1-3H3,(H,21,23)
InChIKeyGEJBNATZUPNEEP-UHFFFAOYSA-N
XLogP3.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
methyl 3-(4-chlorophenyl)-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55439645
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
4-bromo-N-[1-(3-chlorophenyl)propyl]-3-fluorobenzamide
CID 63526336
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 25480917
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600799
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
N-[1-(3-chlorophenyl)propyl]thiophene-2-carboxamide
CID 46587498

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide (CID 55583237) is N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide is CCC(NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is GEJBNATZUPNEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-4-18(15-6-5-7-16(20)12-15)21-19(23)14-8-10-17(11-9-14)26(24,25)22-13(2)3/h5-13,18,22H,4H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide?
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 394.92 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55583237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).