3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide

C18H22ClN3O5S2 — CID 55933849

IUPAC3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-13(14-7-3-5-9-16(14)22-28(2,24)25)21-18(23)11-12-20-29(26,27)17-10-6-4-8-15(17)19/h3-10,13,20,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyCIWWDKXCYIKMAR-UHFFFAOYSA-N
MW459.98 g/mol
LogP2.26
Rot. Bonds9

About 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide

3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide (PubChem CID 55933849) has the molecular formula C18H22ClN3O5S2 and a molecular weight of 459.98 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
PubChem CID55933849
Molecular FormulaC18H22ClN3O5S2
Molecular Weight459.98 g/mol
Exact Mass459.07
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C18H22ClN3O5S2/c1-13(14-7-3-5-9-16(14)22-28(2,24)25)21-18(23)11-12-20-29(26,27)17-10-6-4-8-15(17)19/h3-10,13,20,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyCIWWDKXCYIKMAR-UHFFFAOYSA-N
XLogP2.26
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55576753
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55948237
N-[1-(2-chlorophenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24543985
N-[1-(4-bromophenyl)propyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 55349114
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
CID 56553112
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55934103
methyl 3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440587
3-[(2-bromophenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31972312

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide (CID 55933849) is 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccccc1Cl)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
The InChIKey is CIWWDKXCYIKMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S2/c1-13(14-7-3-5-9-16(14)22-28(2,24)25)21-18(23)11-12-20-29(26,27)17-10-6-4-8-15(17)19/h3-10,13,20,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide?
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide has a molecular weight of 459.98 g/mol, XLogP of 2.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide is sourced from PubChem (CID 55933849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).