2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide

C18H21ClN2O5S2 — CID 132673292

IUPAC2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O5S2/c1-4-17(12-5-8-14(9-6-12)27(2,23)24)20-18(22)15-10-7-13(11-16(15)19)21-28(3,25)26/h5-11,17,21H,4H2,1-3H3,(H,20,22)
InChIKeyWONCTAIFECTXMB-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.00
Rot. Bonds7

About 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide

2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide (PubChem CID 132673292) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
PubChem CID132673292
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC Name2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21ClN2O5S2/c1-4-17(12-5-8-14(9-6-12)27(2,23)24)20-18(22)15-10-7-13(11-16(15)19)21-28(3,25)26/h5-11,17,21H,4H2,1-3H3,(H,20,22)
InChIKeyWONCTAIFECTXMB-UHFFFAOYSA-N
XLogP3.00
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
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-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191557
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 43916181
ethyl 2-chloro-4-[[(1R)-1-(4-methylsulfonylphenyl)propyl]carbamothioylamino]benzoate
CID 100735773
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544
2-iodo-N-[1-(4-methylsulfonylphenyl)propyl]benzamide
CID 132672756
2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(methanesulfonamido)benzamide
CID 133189067
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide (CID 132673292) is 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
The InChIKey is WONCTAIFECTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-4-17(12-5-8-14(9-6-12)27(2,23)24)20-18(22)15-10-7-13(11-16(15)19)21-28(3,25)26/h5-11,17,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide?
2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide has a molecular weight of 444.96 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-[1-(4-methylsulfonylphenyl)propyl]benzamide is sourced from PubChem (CID 132673292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).