4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

C24H20ClN5O5S2 — CID 99943631

IUPAC4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)n1
InChIInChI=1S/C24H20ClN5O5S2/c1-16-13-14-26-24(27-16)30-37(34,35)20-10-7-17(8-11-20)28-23(31)21-12-9-18(15-22(21)25)29-36(32,33)19-5-3-2-4-6-19/h2-15,29H,1H3,(H,28,31)(H,26,27,30)
InChIKeyYXFGUZPCSIFFGI-UHFFFAOYSA-N
MW558.04 g/mol
LogP4.29
Rot. Bonds8

About 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 99943631) has the molecular formula C24H20ClN5O5S2 and a molecular weight of 558.04 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID99943631
Molecular FormulaC24H20ClN5O5S2
Molecular Weight558.04 g/mol
Exact Mass557.06
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)n1
InChIInChI=1S/C24H20ClN5O5S2/c1-16-13-14-26-24(27-16)30-37(34,35)20-10-7-17(8-11-20)28-23(31)21-12-9-18(15-22(21)25)29-36(32,33)19-5-3-2-4-6-19/h2-15,29H,1H3,(H,28,31)(H,26,27,30)
InChIKeyYXFGUZPCSIFFGI-UHFFFAOYSA-N
XLogP4.29
TPSA147.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.04
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 154848341
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 16804909
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 43909240
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4575874
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
2-(2-methoxyethylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 25239822
3-iodo-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1150968

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide (CID 99943631) is 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)n1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is YXFGUZPCSIFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O5S2/c1-16-13-14-26-24(27-16)30-37(34,35)20-10-7-17(8-11-20)28-23(31)21-12-9-18(15-22(21)25)29-36(32,33)19-5-3-2-4-6-19/h2-15,29H,1H3,(H,28,31)(H,26,27,30).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide has a molecular weight of 558.04 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 99943631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).