7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide

C14H15ClN2O3S — CID 110852912

IUPAC7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cccc(Cl)c2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15ClN2O3S/c1-17(10-5-6-21(19,20)8-10)14(18)12-7-9-3-2-4-11(15)13(9)16-12/h2-4,7,10,16H,5-6,8H2,1H3
InChIKeyGNTPQGQNCNCULD-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.08
Rot. Bonds2

About 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide

7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 110852912) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
PubChem CID110852912
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2cccc(Cl)c2[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H15ClN2O3S/c1-17(10-5-6-21(19,20)8-10)14(18)12-7-9-3-2-4-11(15)13(9)16-12/h2-4,7,10,16H,5-6,8H2,1H3
InChIKeyGNTPQGQNCNCULD-UHFFFAOYSA-N
XLogP2.08
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide
CID 110852900
N-(1,1-dioxothiolan-3-yl)-N-methyl-6H-thieno[2,3-b]pyrrole-5-carboxamide
CID 42941910
7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 166475980
3-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259724
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-4-carboxamide
CID 43410879
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylbenzamide
CID 24679446
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 43410881
3-amino-2-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 112575061
N-(2,6-dichlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108527105
6-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 113343275

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide (CID 110852912) is 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2cccc(Cl)c2[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is GNTPQGQNCNCULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(10-5-6-21(19,20)8-10)14(18)12-7-9-3-2-4-11(15)13(9)16-12/h2-4,7,10,16H,5-6,8H2,1H3.
What are the key properties of 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide?
7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 326.81 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 110852912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).