4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide

C29H22ClN3O5S2 — CID 99943737

IUPAC4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C29H22ClN3O5S2/c30-27-19-22(32-39(35,36)23-9-2-1-3-10-23)15-18-26(27)29(34)31-21-13-16-24(17-14-21)40(37,38)33-28-12-6-8-20-7-4-5-11-25(20)28/h1-19,32-33H,(H,31,34)
InChIKeyRQYRXNUWZQTYBX-UHFFFAOYSA-N
MW592.10 g/mol
LogP6.35
Rot. Bonds8

About 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide (PubChem CID 99943737) has the molecular formula C29H22ClN3O5S2 and a molecular weight of 592.10 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
PubChem CID99943737
Molecular FormulaC29H22ClN3O5S2
Molecular Weight592.10 g/mol
Exact Mass591.07
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C29H22ClN3O5S2/c30-27-19-22(32-39(35,36)23-9-2-1-3-10-23)15-18-26(27)29(34)31-21-13-16-24(17-14-21)40(37,38)33-28-12-6-8-20-7-4-5-11-25(20)28/h1-19,32-33H,(H,31,34)
InChIKeyRQYRXNUWZQTYBX-UHFFFAOYSA-N
XLogP6.35
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.10
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-(benzenesulfonamido)-2-chloro-N-(2-ethylphenyl)benzamide
CID 28632195
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-(benzenesulfonamido)-2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 92677411
4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99943631
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
4-(benzenesulfonamido)-2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92680505
4-(benzenesulfonamido)-2-chloro-N-(2-phenoxyphenyl)benzamide
CID 99958448
N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide (CID 99943737) is 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
The InChIKey is RQYRXNUWZQTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O5S2/c30-27-19-22(32-39(35,36)23-9-2-1-3-10-23)15-18-26(27)29(34)31-21-13-16-24(17-14-21)40(37,38)33-28-12-6-8-20-7-4-5-11-25(20)28/h1-19,32-33H,(H,31,34).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide has a molecular weight of 592.10 g/mol, XLogP of 6.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 99943737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).