2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide

C26H26ClN3O5S — CID 94862163

IUPAC2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1
InChIInChI=1S/C26H26ClN3O5S/c1-17-8-11-20(12-9-17)36(33,34)30-18-10-13-21(23(27)15-18)26(32)29-24-7-3-2-6-22(24)25(31)28-16-19-5-4-14-35-19/h2-3,6-13,15,19,30H,4-5,14,16H2,1H3,(H,28,31)(H,29,32)/t19-/m0/s1
InChIKeyVGLVNPJSTOMEFF-IBGZPJMESA-N
MW528.03 g/mol
LogP4.61
Rot. Bonds8

About 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide

2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (PubChem CID 94862163) has the molecular formula C26H26ClN3O5S and a molecular weight of 528.03 g/mol. Its IUPAC name is 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
PubChem CID94862163
Molecular FormulaC26H26ClN3O5S
Molecular Weight528.03 g/mol
Exact Mass527.13
IUPAC Name2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1
InChIInChI=1S/C26H26ClN3O5S/c1-17-8-11-20(12-9-17)36(33,34)30-18-10-13-21(23(27)15-18)26(32)29-24-7-3-2-6-22(24)25(31)28-16-19-5-4-14-35-19/h2-3,6-13,15,19,30H,4-5,14,16H2,1H3,(H,28,31)(H,29,32)/t19-/m0/s1
InChIKeyVGLVNPJSTOMEFF-IBGZPJMESA-N
XLogP4.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.03
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzylcarbamoyl)phenyl]-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778797
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28566679
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527
2-chloro-N-(2-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43910411
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133189831
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[(3-chloro-2-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 55902296
2-[[3-(methylsulfamoyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133231300
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3,5-dichloro-4-methoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17361831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide (CID 94862163) is 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
The InChIKey is VGLVNPJSTOMEFF-IBGZPJMESA-N. The full InChI is InChI=1S/C26H26ClN3O5S/c1-17-8-11-20(12-9-17)36(33,34)30-18-10-13-21(23(27)15-18)26(32)29-24-7-3-2-6-22(24)25(31)28-16-19-5-4-14-35-19/h2-3,6-13,15,19,30H,4-5,14,16H2,1H3,(H,28,31)(H,29,32)/t19-/m0/s1.
What are the key properties of 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide?
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide has a molecular weight of 528.03 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 94862163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).