2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide

C17H19ClN2O3S — CID 43876402

IUPAC2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-16(12-7-5-4-6-8-12)19-17(21)14-10-9-13(11-15(14)18)20-24(2,22)23/h4-11,16,20H,3H2,1-2H3,(H,19,21)
InChIKeyTXNPWWDOYJVITH-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.59
Rot. Bonds6

About 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide

2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide (PubChem CID 43876402) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
PubChem CID43876402
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-16(12-7-5-4-6-8-12)19-17(21)14-10-9-13(11-15(14)18)20-24(2,22)23/h4-11,16,20H,3H2,1-2H3,(H,19,21)
InChIKeyTXNPWWDOYJVITH-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132673292
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-chloro-5-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 38000460
2-chloro-5-(methanesulfonamido)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43915949
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 43916181
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191557
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 94012391
2-chloro-4-(methanesulfonamido)-N-naphthalen-2-ylbenzamide
CID 99951407
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide (CID 43876402) is 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide?
The InChIKey is TXNPWWDOYJVITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-16(12-7-5-4-6-8-12)19-17(21)14-10-9-13(11-15(14)18)20-24(2,22)23/h4-11,16,20H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide?
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide has a molecular weight of 366.87 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 43876402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).