N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

C14H17N3O3S — CID 106373810

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc3c(c2)NCC3)oc1C
InChIInChI=1S/C14H17N3O3S/c1-9-10(2)20-14(17-9)8-16-21(18,19)12-4-3-11-5-6-15-13(11)7-12/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyRDDHGPAEOTWFEY-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.74
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 106373810) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID106373810
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc3c(c2)NCC3)oc1C
InChIInChI=1S/C14H17N3O3S/c1-9-10(2)20-14(17-9)8-16-21(18,19)12-4-3-11-5-6-15-13(11)7-12/h3-4,7,15-16H,5-6,8H2,1-2H3
InChIKeyRDDHGPAEOTWFEY-UHFFFAOYSA-N
XLogP1.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 71986853
N-ethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 72126072
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methyl-5-nitrobenzenesulfonamide
CID 86797955
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106369229
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 106369240
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106369243
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106369249
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106369286
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 106369302
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106369303
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methylbenzenesulfonamide
CID 106369305
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-methylbenzenesulfonamide
CID 106369322

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide (CID 106373810) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc3c(c2)NCC3)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is RDDHGPAEOTWFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-10(2)20-14(17-9)8-16-21(18,19)12-4-3-11-5-6-15-13(11)7-12/h3-4,7,15-16H,5-6,8H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 106373810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).