3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide

C12H13Cl2N3O3S — CID 166187794

IUPAC3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-21(19,20)16-5-4-15-12(18)11-10(14)8-6-7(13)2-3-9(8)17-11/h2-3,6,16-17H,4-5H2,1H3,(H,15,18)
InChIKeyXIKDFLACFMKEBB-UHFFFAOYSA-N
MW350.23 g/mol
LogP1.75
Rot. Bonds5

About 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide (PubChem CID 166187794) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
PubChem CID166187794
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC Name3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C12H13Cl2N3O3S/c1-21(19,20)16-5-4-15-12(18)11-10(14)8-6-7(13)2-3-9(8)17-11/h2-3,6,16-17H,4-5H2,1H3,(H,15,18)
InChIKeyXIKDFLACFMKEBB-UHFFFAOYSA-N
XLogP1.75
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
3,5-dichloro-N-[2-(dimethylamino)-2-phenylethyl]-1H-indole-2-carboxamide
CID 55644479
5-chloro-N-[2-(cyclopropylsulfonylamino)ethyl]-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 166068006
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide
CID 87033246
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]-1H-indole-2-carboxamide
CID 175442318
3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 55913848
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013827
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide (CID 166187794) is 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide?
The InChIKey is XIKDFLACFMKEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-21(19,20)16-5-4-15-12(18)11-10(14)8-6-7(13)2-3-9(8)17-11/h2-3,6,16-17H,4-5H2,1H3,(H,15,18).
What are the key properties of 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide has a molecular weight of 350.23 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166187794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).