4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide

C30H28ClN3O4S — CID 43908153

IUPAC4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)c2)cc1
InChIInChI=1S/C30H28ClN3O4S/c1-30(2,3)21-14-12-20(13-15-21)28(35)32-22-8-7-9-23(18-22)33-29(36)26-17-16-24(19-27(26)31)34-39(37,38)25-10-5-4-6-11-25/h4-19,34H,1-3H3,(H,32,35)(H,33,36)
InChIKeySODHSRULZYSPBP-UHFFFAOYSA-N
MW562.09 g/mol
LogP6.94
Rot. Bonds7

About 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide

4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide (PubChem CID 43908153) has the molecular formula C30H28ClN3O4S and a molecular weight of 562.09 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
PubChem CID43908153
Molecular FormulaC30H28ClN3O4S
Molecular Weight562.09 g/mol
Exact Mass561.15
IUPAC Name4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)c2)cc1
InChIInChI=1S/C30H28ClN3O4S/c1-30(2,3)21-14-12-20(13-15-21)28(35)32-22-8-7-9-23(18-22)33-29(36)26-17-16-24(19-27(26)31)34-39(37,38)25-10-5-4-6-11-25/h4-19,34H,1-3H3,(H,32,35)(H,33,36)
InChIKeySODHSRULZYSPBP-UHFFFAOYSA-N
XLogP6.94
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.09
LogP ≤ 56.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[3-(benzenesulfonamido)phenyl]-2,3-dichlorobenzamide
CID 46474289
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
4-(benzenesulfonamido)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzamide
CID 46763134
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide (CID 43908153) is 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)c2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide?
The InChIKey is SODHSRULZYSPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O4S/c1-30(2,3)21-14-12-20(13-15-21)28(35)32-22-8-7-9-23(18-22)33-29(36)26-17-16-24(19-27(26)31)34-39(37,38)25-10-5-4-6-11-25/h4-19,34H,1-3H3,(H,32,35)(H,33,36).
What are the key properties of 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide?
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide has a molecular weight of 562.09 g/mol, XLogP of 6.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide is sourced from PubChem (CID 43908153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).