1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide

C14H15N3O3S2 — CID 110739056

IUPAC1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)s1
InChIInChI=1S/C14H15N3O3S2/c1-9-7-15-13(21-9)8-16-22(19,20)11-3-4-12-10(5-11)6-14(18)17(12)2/h3-5,7,16H,6,8H2,1-2H3
InChIKeyPSIVLSFRIHUALJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.45
Rot. Bonds4

About 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 110739056) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID110739056
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)s1
InChIInChI=1S/C14H15N3O3S2/c1-9-7-15-13(21-9)8-16-22(19,20)11-3-4-12-10(5-11)6-14(18)17(12)2/h3-5,7,16H,6,8H2,1-2H3
InChIKeyPSIVLSFRIHUALJ-UHFFFAOYSA-N
XLogP1.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-[(S)-2-(5-ethyl-thiazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
CID 44359002
N,N-dimethyl-1-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26770290
1-[2-(2,4-difluorophenyl)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 59432882
(3E)-N-(2,5-difluorophenyl)-2-oxo-3-(1,3-thiazol-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 162524867
(3E)-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethylidene)indole-5-sulfonamide
CID 162524879
(3E)-N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxo-1-prop-2-enyl-3-(1,3-thiazol-2-ylmethylidene)indole-5-sulfonamide
CID 162524885
(3E)-N-[(2,4-difluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-N-methyl-2-oxo-3-(1,3-thiazol-2-ylmethylidene)indole-5-sulfonamide
CID 162524902
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-2-ylmethyl)-3H-indole-5-sulfonamide
CID 162524903
(3E)-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxo-3-(1,3-thiazol-5-ylmethylidene)indole-5-sulfonamide
CID 162524908
(3E)-N-[(3-fluorophenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethylidene)-1H-indole-5-sulfonamide
CID 162524923
(3E)-1-butyl-N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxo-3-(1,3-thiazol-2-ylmethylidene)indole-5-sulfonamide
CID 162524931
(3E)-N-[(2,4-difluorophenyl)methyl]-1-methyl-2-oxo-N-prop-2-enyl-3-(1,3-thiazol-2-ylmethylidene)indole-5-sulfonamide
CID 162524953

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide (CID 110739056) is 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)s1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is PSIVLSFRIHUALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-9-7-15-13(21-9)8-16-22(19,20)11-3-4-12-10(5-11)6-14(18)17(12)2/h3-5,7,16H,6,8H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 337.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 110739056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).