N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

C15H18N2O2S2 — CID 61477904

IUPACN-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc3c(c2)CCN3)s1
InChIInChI=1S/C15H18N2O2S2/c1-10-3-6-15(20-10)11(2)17-21(18,19)13-4-5-14-12(9-13)7-8-16-14/h3-6,9,11,16-17H,7-8H2,1-2H3
InChIKeyJKVYUFNBCQBPKB-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 61477904) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID61477904
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2ccc3c(c2)CCN3)s1
InChIInChI=1S/C15H18N2O2S2/c1-10-3-6-15(20-10)11(2)17-21(18,19)13-4-5-14-12(9-13)7-8-16-14/h3-6,9,11,16-17H,7-8H2,1-2H3
InChIKeyJKVYUFNBCQBPKB-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 114418208
N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
3-chloro-4-cyano-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 115590735
2-(ethylamino)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 62153288
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106050171
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61480854
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 104828898
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide (CID 61477904) is N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2ccc3c(c2)CCN3)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is JKVYUFNBCQBPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-3-6-15(20-10)11(2)17-21(18,19)13-4-5-14-12(9-13)7-8-16-14/h3-6,9,11,16-17H,7-8H2,1-2H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 322.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 61477904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).