N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide

C22H20BrN3O4S — CID 10228885

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C22H20BrN3O4S/c23-17-9-11-18(12-10-17)26-21(27)13-14-25-22(28)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyNSLAEVNOJPXVRP-UHFFFAOYSA-N
MW502.39 g/mol
LogP3.52
Rot. Bonds7

About N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide

N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide (PubChem CID 10228885) has the molecular formula C22H20BrN3O4S and a molecular weight of 502.39 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
PubChem CID10228885
Molecular FormulaC22H20BrN3O4S
Molecular Weight502.39 g/mol
Exact Mass501.04
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C22H20BrN3O4S/c23-17-9-11-18(12-10-17)26-21(27)13-14-25-22(28)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyNSLAEVNOJPXVRP-UHFFFAOYSA-N
XLogP3.52
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.39
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
CID 1355932
N-cyclopropyl-4-{[phenyl(phenylsulfonyl)amino]methyl}benzamide
CID 1252922
N-(3-bromophenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1303094
2-[methyl(phenylsulfonyl)amino]-N-{2-[(propylamino)carbonyl]phenyl}benzamide
CID 2208841
N-(4-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 3605573
N-(4-Bromophenyl)-3-(2,3-dihydro-1H-indole-1-sulfonyl)-4-fluorobenzamide
CID 3605801
7-Bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 4672338
N-[3-[3-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 4795824

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide (CID 10228885) is N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide?
The InChIKey is NSLAEVNOJPXVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O4S/c23-17-9-11-18(12-10-17)26-21(27)13-14-25-22(28)16-7-5-15(6-8-16)19-3-1-2-4-20(19)31(24,29)30/h1-12H,13-14H2,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide?
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide has a molecular weight of 502.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]-4-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10228885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).