2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide

C23H24ClN3O6S2 — CID 43874789

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C23H24ClN3O6S2/c1-33-22-12-11-19(14-20(22)24)35(31,32)27-21(13-16-5-3-2-4-6-16)23(28)26-15-17-7-9-18(10-8-17)34(25,29)30/h2-12,14,21,27H,13,15H2,1H3,(H,26,28)(H2,25,29,30)
InChIKeyKMUQUZSABITGMN-UHFFFAOYSA-N
MW538.05 g/mol
LogP2.20
Rot. Bonds10

About 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 43874789) has the molecular formula C23H24ClN3O6S2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID43874789
Molecular FormulaC23H24ClN3O6S2
Molecular Weight538.05 g/mol
Exact Mass537.08
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C23H24ClN3O6S2/c1-33-22-12-11-19(14-20(22)24)35(31,32)27-21(13-16-5-3-2-4-6-16)23(28)26-15-17-7-9-18(10-8-17)34(25,29)30/h2-12,14,21,27H,13,15H2,1H3,(H,26,28)(H2,25,29,30)
InChIKeyKMUQUZSABITGMN-UHFFFAOYSA-N
XLogP2.20
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.05
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874784
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 28538957
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 94861777
(2R)-N-benzyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538141
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(2,4-dichlorophenyl)methyl]-3-phenylpropanamide
CID 94860896
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 43870904
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28538144
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
N-[(2-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43870745

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 43874789) is 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide is COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is KMUQUZSABITGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S2/c1-33-22-12-11-19(14-20(22)24)35(31,32)27-21(13-16-5-3-2-4-6-16)23(28)26-15-17-7-9-18(10-8-17)34(25,29)30/h2-12,14,21,27H,13,15H2,1H3,(H,26,28)(H2,25,29,30).
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 538.05 g/mol, XLogP of 2.20, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 43874789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).