benzamide;2-benzoyl-5-chlorobenzenesulfonamide

C20H17ClN2O4S — CID 174396594

IUPACbenzamide;2-benzoyl-5-chlorobenzenesulfonamide
SMILESNC(=O)c1ccccc1.NS(=O)(=O)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10ClNO3S.C7H7NO/c14-10-6-7-11(12(8-10)19(15,17)18)13(16)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6/h1-8H,(H2,15,17,18);1-5H,(H2,8,9)
InChIKeyOHUBMFWAMVGPAV-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.00
Rot. Bonds4

About benzamide;2-benzoyl-5-chlorobenzenesulfonamide

benzamide;2-benzoyl-5-chlorobenzenesulfonamide (PubChem CID 174396594) has the molecular formula C20H17ClN2O4S and a molecular weight of 416.89 g/mol. Its IUPAC name is benzamide;2-benzoyl-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Namebenzamide;2-benzoyl-5-chlorobenzenesulfonamide
PubChem CID174396594
Molecular FormulaC20H17ClN2O4S
Molecular Weight416.89 g/mol
Exact Mass416.06
IUPAC Namebenzamide;2-benzoyl-5-chlorobenzenesulfonamide
SMILESNC(=O)c1ccccc1.NS(=O)(=O)c1cc(Cl)ccc1C(=O)c1ccccc1
InChIInChI=1S/C13H10ClNO3S.C7H7NO/c14-10-6-7-11(12(8-10)19(15,17)18)13(16)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6/h1-8H,(H2,15,17,18);1-5H,(H2,8,9)
InChIKeyOHUBMFWAMVGPAV-UHFFFAOYSA-N
XLogP3.00
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
benzoic acid;2,4-dichlorobenzenesulfonamide
CID 175086946
3-(2-benzoyl-5-chlorophenyl)propanamide
CID 19903203
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407
2-(2-benzoyl-5-chlorophenyl)-1-(diaminomethylidene)guanidine
CID 168601925
1-(2-benzoylphenyl)-1-(5-chloro-2-hydroxyphenyl)urea
CID 139704351
2-(2-benzoyl-5-chlorophenyl)-2,2-difluoroacetic acid
CID 57078836
CID 67738089
CID 67738089
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954

Frequently Asked Questions

What is the IUPAC name of benzamide;2-benzoyl-5-chlorobenzenesulfonamide?
The IUPAC name of benzamide;2-benzoyl-5-chlorobenzenesulfonamide (CID 174396594) is benzamide;2-benzoyl-5-chlorobenzenesulfonamide.
What is the SMILES notation for benzamide;2-benzoyl-5-chlorobenzenesulfonamide?
The canonical SMILES for benzamide;2-benzoyl-5-chlorobenzenesulfonamide is NC(=O)c1ccccc1.NS(=O)(=O)c1cc(Cl)ccc1C(=O)c1ccccc1.
What is the InChIKey of benzamide;2-benzoyl-5-chlorobenzenesulfonamide?
The InChIKey is OHUBMFWAMVGPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S.C7H7NO/c14-10-6-7-11(12(8-10)19(15,17)18)13(16)9-4-2-1-3-5-9;8-7(9)6-4-2-1-3-5-6/h1-8H,(H2,15,17,18);1-5H,(H2,8,9).
What are the key properties of benzamide;2-benzoyl-5-chlorobenzenesulfonamide?
benzamide;2-benzoyl-5-chlorobenzenesulfonamide has a molecular weight of 416.89 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;2-benzoyl-5-chlorobenzenesulfonamide is sourced from PubChem (CID 174396594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).