N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

C24H22ClN3O5S — CID 1355582

IUPACN-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1
InChIInChI=1S/C24H22ClN3O5S/c25-21-11-6-18(16-22(21)34(31,32)28-12-14-33-15-13-28)24(30)27-20-9-7-19(8-10-20)26-23(29)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,26,29)(H,27,30)
InChIKeyKVACMQHGMIJKAR-UHFFFAOYSA-N
MW499.98 g/mol
LogP3.87
Rot. Bonds6

About N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide

N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1355582) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1355582
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC NameN-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1
InChIInChI=1S/C24H22ClN3O5S/c25-21-11-6-18(16-22(21)34(31,32)28-12-14-33-15-13-28)24(30)27-20-9-7-19(8-10-20)26-23(29)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,26,29)(H,27,30)
InChIKeyKVACMQHGMIJKAR-UHFFFAOYSA-N
XLogP3.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dichloro-N-phenyl-5-(1-piperidinylsulfonyl)benzamide
CID 1107106
N-benzyl-2-(benzylamino)-4-chloro-5-sulfamoylbenzamide
CID 126508254
2-(benzylamino)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 126508531
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-4-fluorobenzamide
CID 4057923
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
2,4-dichloro-N-(3-fluorophenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356130
N-{2-[(allylamino)carbonyl]phenyl}-3-(anilinosulfonyl)-4-chlorobenzamide
CID 2237563
2,4-dichloro-N-(3,4-difluorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2334818
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-fluorophenyl)benzamide
CID 2704881

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide (CID 1355582) is N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1)c1ccccc1.
What is the InChIKey of N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KVACMQHGMIJKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c25-21-11-6-18(16-22(21)34(31,32)28-12-14-33-15-13-28)24(30)27-20-9-7-19(8-10-20)26-23(29)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,26,29)(H,27,30).
What are the key properties of N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide?
N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 499.98 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1355582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).