2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide

C17H17BrClN3O4S — CID 55993625

IUPAC2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C17H17BrClN3O4S/c1-2-7-21-16(23)12-5-3-10(19)8-15(12)22-17(24)13-9-11(27(20,25)26)4-6-14(13)18/h3-6,8-9H,2,7H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyKSXIHDIMGWEHLJ-UHFFFAOYSA-N
MW474.76 g/mol
LogP3.14
Rot. Bonds6

About 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide

2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide (PubChem CID 55993625) has the molecular formula C17H17BrClN3O4S and a molecular weight of 474.76 g/mol. Its IUPAC name is 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide
PubChem CID55993625
Molecular FormulaC17H17BrClN3O4S
Molecular Weight474.76 g/mol
Exact Mass472.98
IUPAC Name2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C17H17BrClN3O4S/c1-2-7-21-16(23)12-5-3-10(19)8-15(12)22-17(24)13-9-11(27(20,25)26)4-6-14(13)18/h3-6,8-9H,2,7H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyKSXIHDIMGWEHLJ-UHFFFAOYSA-N
XLogP3.14
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.76
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
4-chloro-2-[(3,5-dibromophenyl)carbamoylamino]-N-propylbenzamide
CID 156854041
1-(4-bromophenyl)-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 55895989
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093
2-[(5-amino-2-bromobenzoyl)amino]-4-chlorobenzoic acid
CID 115297196
4-chloro-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-N-propylbenzamide
CID 55895232
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
4-chloro-2-(cyclopentanecarbonylamino)-N-propylbenzamide
CID 87026899
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
2-(2-butylsulfanylpropanoylamino)-4-chloro-N-propylbenzamide
CID 55919554
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide (CID 55993625) is 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide?
The InChIKey is KSXIHDIMGWEHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O4S/c1-2-7-21-16(23)12-5-3-10(19)8-15(12)22-17(24)13-9-11(27(20,25)26)4-6-14(13)18/h3-6,8-9H,2,7H2,1H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide?
2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide has a molecular weight of 474.76 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-chloro-2-(propylcarbamoyl)phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 55993625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).