N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide

C21H19ClN4O4S — CID 33156080

IUPACN-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(N)=O)cc3)c2)c1
InChIInChI=1S/C21H19ClN4O4S/c1-13-3-2-4-16(11-13)26-31(29,30)17-9-10-19(22)18(12-17)20(27)24-14-5-7-15(8-6-14)25-21(23)28/h2-12,26H,1H3,(H,24,27)(H3,23,25,28)
InChIKeyBQWYFCUFSZGXAB-UHFFFAOYSA-N
MW458.93 g/mol
LogP4.19
Rot. Bonds6

About N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide

N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 33156080) has the molecular formula C21H19ClN4O4S and a molecular weight of 458.93 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID33156080
Molecular FormulaC21H19ClN4O4S
Molecular Weight458.93 g/mol
Exact Mass458.08
IUPAC NameN-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(N)=O)cc3)c2)c1
InChIInChI=1S/C21H19ClN4O4S/c1-13-3-2-4-16(11-13)26-31(29,30)17-9-10-19(22)18(12-17)20(27)24-14-5-7-15(8-6-14)25-21(23)28/h2-12,26H,1H3,(H,24,27)(H3,23,25,28)
InChIKeyBQWYFCUFSZGXAB-UHFFFAOYSA-N
XLogP4.19
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.93
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 24639436
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 31855172
2,3,4-trihydroxy-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 58626498

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide (CID 33156080) is N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(NC(N)=O)cc3)c2)c1.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is BQWYFCUFSZGXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S/c1-13-3-2-4-16(11-13)26-31(29,30)17-9-10-19(22)18(12-17)20(27)24-14-5-7-15(8-6-14)25-21(23)28/h2-12,26H,1H3,(H,24,27)(H3,23,25,28).
What are the key properties of N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide?
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 458.93 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 33156080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).