4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C12H15N3O3S2 — CID 1094170

IUPAC4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C12H15N3O3S2/c1-3-4-11-13-14-12(19-11)15-20(16,17)10-7-5-9(18-2)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyKDYCRIOSNVOIAC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.30
Rot. Bonds6

About 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 1094170) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID1094170
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C12H15N3O3S2/c1-3-4-11-13-14-12(19-11)15-20(16,17)10-7-5-9(18-2)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyKDYCRIOSNVOIAC-UHFFFAOYSA-N
XLogP2.30
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-N-(5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 234310
N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 2177065
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 840138
Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-
CID 198956
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide
CID 6461687
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 2928745
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 750631
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787504
4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 750630
4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
CID 847124
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 750627
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744632

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 1094170) is 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is KDYCRIOSNVOIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-3-4-11-13-14-12(19-11)15-20(16,17)10-7-5-9(18-2)6-8-10/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1094170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).