N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide

C16H18N4O2S2 — CID 11978595

IUPACN-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide
SMILESCN(c1cccc2cc(-c3nccs3)[nH]c12)S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H18N4O2S2/c1-19(24(21,22)20-8-2-3-9-20)14-6-4-5-12-11-13(18-15(12)14)16-17-7-10-23-16/h4-7,10-11,18H,2-3,8-9H2,1H3
InChIKeyYXADLQZWEJYBDS-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide

N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide (PubChem CID 11978595) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide
PubChem CID11978595
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide
SMILESCN(c1cccc2cc(-c3nccs3)[nH]c12)S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H18N4O2S2/c1-19(24(21,22)20-8-2-3-9-20)14-6-4-5-12-11-13(18-15(12)14)16-17-7-10-23-16/h4-7,10-11,18H,2-3,8-9H2,1H3
InChIKeyYXADLQZWEJYBDS-UHFFFAOYSA-N
XLogP3.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide (CID 11978595) is N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide is CN(c1cccc2cc(-c3nccs3)[nH]c12)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide?
The InChIKey is YXADLQZWEJYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-19(24(21,22)20-8-2-3-9-20)14-6-4-5-12-11-13(18-15(12)14)16-17-7-10-23-16/h4-7,10-11,18H,2-3,8-9H2,1H3.
What are the key properties of N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide?
N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 11978595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).