(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide

C15H14N4O3S2 — CID 15697867

IUPAC(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=c2\snnn2Cc2ccccc2)cc1
InChIInChI=1S/C15H14N4O3S2/c1-22-13-7-9-14(10-8-13)24(20,21)16-15-19(17-18-23-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/b16-15-
InChIKeyUHIFFEBNRPUIHV-NXVVXOECSA-N
MW362.44 g/mol
LogP1.69
Rot. Bonds5

About (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide

(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 15697867) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide
PubChem CID15697867
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC Name(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=c2\snnn2Cc2ccccc2)cc1
InChIInChI=1S/C15H14N4O3S2/c1-22-13-7-9-14(10-8-13)24(20,21)16-15-19(17-18-23-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/b16-15-
InChIKeyUHIFFEBNRPUIHV-NXVVXOECSA-N
XLogP1.69
TPSA86.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126212127
N-[3-(difluoromethyl)-1,3-benzothiazol-2-ylidene]-4-methoxybenzenesulfonamide
CID 2348494
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 126200501
N-(4,7-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891793
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849401
(NZ)-N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937064
(NZ)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937383
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891914
1-[(4-methoxyphenyl)methyl]-5-(3-phenylpropylsulfonyl)tetrazole
CID 176890412
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 154467582

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide (CID 15697867) is (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=c2\snnn2Cc2ccccc2)cc1.
What is the InChIKey of (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is UHIFFEBNRPUIHV-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-22-13-7-9-14(10-8-13)24(20,21)16-15-19(17-18-23-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3/b16-15-.
What are the key properties of (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide?
(NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 362.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-benzylthiatriazol-5-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 15697867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).