N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide

C18H17ClN2O4S — CID 20938090

IUPACN-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H17ClN2O4S/c1-21-16-6-5-15(9-12(16)10-18(21)23)26(24,25)8-7-17(22)20-14-4-2-3-13(19)11-14/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)
InChIKeyLNMRADULWJZOOY-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.66
Rot. Bonds5

About N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide

N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide (PubChem CID 20938090) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
PubChem CID20938090
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)ccc21
InChIInChI=1S/C18H17ClN2O4S/c1-21-16-6-5-15(9-12(16)10-18(21)23)26(24,25)8-7-17(22)20-14-4-2-3-13(19)11-14/h2-6,9,11H,7-8,10H2,1H3,(H,20,22)
InChIKeyLNMRADULWJZOOY-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938219
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 20938140
N-(2,4-dimethoxyphenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide
CID 20938087
N-(3-chlorophenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-7-yl)sulfonyl]propanamide
CID 126459270
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
N-(3-chlorophenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551731
N-(3-chlorophenyl)-3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20902878
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 15997795
N-(3-chlorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383219

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide (CID 20938090) is N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide is CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)Nc3cccc(Cl)c3)ccc21.
What is the InChIKey of N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
The InChIKey is LNMRADULWJZOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-21-16-6-5-15(9-12(16)10-18(21)23)26(24,25)8-7-17(22)20-14-4-2-3-13(19)11-14/h2-6,9,11H,7-8,10H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide?
N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide has a molecular weight of 392.86 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 20938090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).