N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

C15H17N3O3S2 — CID 53104479

IUPACN-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)NCc3ccco3)c(C)n2C)n1
InChIInChI=1S/C15H17N3O3S2/c1-10-9-22-15(17-10)13-7-14(11(2)18(13)3)23(19,20)16-8-12-5-4-6-21-12/h4-7,9,16H,8H2,1-3H3
InChIKeyGMGHFLBYEAOAJB-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds5

About N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide

N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (PubChem CID 53104479) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
PubChem CID53104479
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
SMILESCc1csc(-c2cc(S(=O)(=O)NCc3ccco3)c(C)n2C)n1
InChIInChI=1S/C15H17N3O3S2/c1-10-9-22-15(17-10)13-7-14(11(2)18(13)3)23(19,20)16-8-12-5-4-6-21-12/h4-7,9,16H,8H2,1-3H3
InChIKeyGMGHFLBYEAOAJB-UHFFFAOYSA-N
XLogP2.84
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-dimethylpyrrole-3-sulfonamide
CID 53035453
N-(furan-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 115630858
N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760391
N-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292504
1,2-dimethyl-N-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide
CID 53035430
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 51043991
2-methyl-N-[(2-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835609
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide (CID 53104479) is N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is Cc1csc(-c2cc(S(=O)(=O)NCc3ccco3)c(C)n2C)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
The InChIKey is GMGHFLBYEAOAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-10-9-22-15(17-10)13-7-14(11(2)18(13)3)23(19,20)16-8-12-5-4-6-21-12/h4-7,9,16H,8H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide?
N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 53104479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).