5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C24H23Cl3N4O5S2 — CID 22495963

IUPAC5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C24H23Cl3N4O5S2/c1-30-10-12-31(13-11-30)38(35,36)18-5-3-17(4-6-18)28-24(32)20-14-16(25)2-9-23(20)29-37(33,34)19-7-8-21(26)22(27)15-19/h2-9,14-15,29H,10-13H2,1H3,(H,28,32)
InChIKeyTVCTXJUSADVHOW-UHFFFAOYSA-N
MW617.96 g/mol
LogP4.64
Rot. Bonds7

About 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 22495963) has the molecular formula C24H23Cl3N4O5S2 and a molecular weight of 617.96 g/mol. Its IUPAC name is 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID22495963
Molecular FormulaC24H23Cl3N4O5S2
Molecular Weight617.96 g/mol
Exact Mass616.02
IUPAC Name5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C24H23Cl3N4O5S2/c1-30-10-12-31(13-11-30)38(35,36)18-5-3-17(4-6-18)28-24(32)20-14-16(25)2-9-23(20)29-37(33,34)19-7-8-21(26)22(27)15-19/h2-9,14-15,29H,10-13H2,1H3,(H,28,32)
InChIKeyTVCTXJUSADVHOW-UHFFFAOYSA-N
XLogP4.64
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.96
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
2-chloro-4,5-difluoro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 34071219
2-[(4-chlorophenyl)sulfonylamino]-5-morpholin-4-yl-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 18328751
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 99969341
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
N-(4-chloro-2-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968876
3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 18377006
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 22495967
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968879
5-chloro-N-(4-morpholin-4-ylsulfonylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 22495926

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 22495963) is 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1.
What is the InChIKey of 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is TVCTXJUSADVHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O5S2/c1-30-10-12-31(13-11-30)38(35,36)18-5-3-17(4-6-18)28-24(32)20-14-16(25)2-9-23(20)29-37(33,34)19-7-8-21(26)22(27)15-19/h2-9,14-15,29H,10-13H2,1H3,(H,28,32).
What are the key properties of 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 617.96 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 22495963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).