N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide

C15H13N3O2S3 — CID 11978594

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2cc(C3=NCCS3)[nH]c12)c1cccs1
InChIInChI=1S/C15H13N3O2S3/c19-23(20,13-5-2-7-21-13)18-11-4-1-3-10-9-12(17-14(10)11)15-16-6-8-22-15/h1-5,7,9,17-18H,6,8H2
InChIKeyCMOHAAQAZCNZEP-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide

N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 11978594) has the molecular formula C15H13N3O2S3 and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID11978594
Molecular FormulaC15H13N3O2S3
Molecular Weight363.49 g/mol
Exact Mass363.02
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc2cc(C3=NCCS3)[nH]c12)c1cccs1
InChIInChI=1S/C15H13N3O2S3/c19-23(20,13-5-2-7-21-13)18-11-4-1-3-10-9-12(17-14(10)11)15-16-6-8-22-15/h1-5,7,9,17-18H,6,8H2
InChIKeyCMOHAAQAZCNZEP-UHFFFAOYSA-N
XLogP3.52
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1,3-thiazol-2-yl)-N-thiophen-2-ylsulfanyl-1H-indol-7-amine
CID 126635023
N-[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135769
N-[5-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-4H-pyrrolo[3,2-b]pyrrol-3-yl]-N-methylthiophene-2-sulfonamide
CID 24880661
2-[7-[(3-methylthiophen-2-yl)sulfonylamino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 67486980
2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine
CID 143310722
N-(2-benzylsulfanylethyl)-7-(thiophen-2-ylsulfonylamino)-1H-indole-2-carboxamide
CID 70883569
methyl 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 57476138
N-[2-(5-cyano-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59135830
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
3-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 175264747
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 2405422
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 8505367

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide (CID 11978594) is N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cccc2cc(C3=NCCS3)[nH]c12)c1cccs1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is CMOHAAQAZCNZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S3/c19-23(20,13-5-2-7-21-13)18-11-4-1-3-10-9-12(17-14(10)11)15-16-6-8-22-15/h1-5,7,9,17-18H,6,8H2.
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 363.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 11978594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).