N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide

C21H21N3O3S2 — CID 27899421

IUPACN,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1
InChIInChI=1S/C21H21N3O3S2/c1-14-22-19(13-28-14)15-7-8-20-16(11-15)9-10-24(20)21(25)17-5-4-6-18(12-17)29(26,27)23(2)3/h4-8,11-13H,9-10H2,1-3H3
InChIKeyJCRBFTJLIFEUMV-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.57
Rot. Bonds4

About N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide

N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide (PubChem CID 27899421) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide
PubChem CID27899421
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1
InChIInChI=1S/C21H21N3O3S2/c1-14-22-19(13-28-14)15-7-8-20-16(11-15)9-10-24(20)21(25)17-5-4-6-18(12-17)29(26,27)23(2)3/h4-8,11-13H,9-10H2,1-3H3
InChIKeyJCRBFTJLIFEUMV-UHFFFAOYSA-N
XLogP3.57
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 27039682
1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 53179833
(2,4-dimethoxyphenyl)-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 34162563
3-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzenesulfonamide
CID 30287093
4-[[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 18109053
3-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzonitrile
CID 25477722
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
3-(dimethylsulfamoyl)-N-[2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 24648924
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
N,N-diethyl-4-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazine-1-carboxamide
CID 37194992
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 37323273

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide (CID 27899421) is N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide is Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(S(=O)(=O)N(C)C)c2)cs1.
What is the InChIKey of N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide?
The InChIKey is JCRBFTJLIFEUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-14-22-19(13-28-14)15-7-8-20-16(11-15)9-10-24(20)21(25)17-5-4-6-18(12-17)29(26,27)23(2)3/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide has a molecular weight of 427.55 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 27899421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).