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

C12H15N3O3S2 — CID 750627

IUPAC4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C12H15N3O3S2/c1-8(2)11-13-14-12(19-11)15-20(16,17)10-6-4-9(18-3)5-7-10/h4-8H,1-3H3,(H,14,15)
InChIKeyDCOUGMGNHGFYQI-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.47
Rot. Bonds5

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

4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 750627) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID750627
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
InChIInChI=1S/C12H15N3O3S2/c1-8(2)11-13-14-12(19-11)15-20(16,17)10-6-4-9(18-3)5-7-10/h4-8H,1-3H3,(H,14,15)
InChIKeyDCOUGMGNHGFYQI-UHFFFAOYSA-N
XLogP2.47
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35523784
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 43812672
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100759457
4-[3-methyl-2-[1-(4-methylphenyl)ethylideneamino]but-2-enoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 143433630
ethane;4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 143433631
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
CID 108781480
N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 135391827
N-[(2S)-2-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]cyclopentyl]acetamide
CID 143823201
methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
CID 2809824
4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
CID 3691156
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944982

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 750627) is 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is DCOUGMGNHGFYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-8(2)11-13-14-12(19-11)15-20(16,17)10-6-4-9(18-3)5-7-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 750627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).