N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide

C19H20ClN3O3S — CID 3759368

IUPACN-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C19H20ClN3O3S/c1-12(9-14-11-21-18-6-4-3-5-16(14)18)23-27(25,26)15-7-8-19(17(20)10-15)22-13(2)24/h3-8,10-12,21,23H,9H2,1-2H3,(H,22,24)
InChIKeyYVRDZXACIHKXLB-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.69
Rot. Bonds6

About N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide

N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide (PubChem CID 3759368) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
PubChem CID3759368
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1Cl
InChIInChI=1S/C19H20ClN3O3S/c1-12(9-14-11-21-18-6-4-3-5-16(14)18)23-27(25,26)15-7-8-19(17(20)10-15)22-13(2)24/h3-8,10-12,21,23H,9H2,1-2H3,(H,22,24)
InChIKeyYVRDZXACIHKXLB-UHFFFAOYSA-N
XLogP3.69
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 25047405
5-[[(1R)-1-carboxylato-2-(1H-indol-3-yl)ethyl]sulfamoyl]-2-chlorobenzoate
CID 2473981
4-cyano-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 3790571
N-[1-(1H-indol-3-yl)propan-2-yl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 10249451
2,5-dibromo-3,6-dichloro-N-[1-(1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 10325022
N-[1-(4-acetamido-2-chloroanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 86945334
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 983564
N-[1-(1H-indol-3-yl)propan-2-yl]thiophene-2-sulfonamide
CID 3777897
(2S)-3-(1H-indol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanoate
CID 2564289
N-[1-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3587295
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
N-[1-(1H-indol-3-yl)propan-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 3833416

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide (CID 3759368) is N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC(C)Cc2c[nH]c3ccccc23)cc1Cl.
What is the InChIKey of N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
The InChIKey is YVRDZXACIHKXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-12(9-14-11-21-18-6-4-3-5-16(14)18)23-27(25,26)15-7-8-19(17(20)10-15)22-13(2)24/h3-8,10-12,21,23H,9H2,1-2H3,(H,22,24).
What are the key properties of N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide?
N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide has a molecular weight of 405.91 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[1-(1H-indol-3-yl)propan-2-ylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3759368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).