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

C12H16N4O3S2 — CID 106081210

IUPAC5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C12H16N4O3S2/c1-3-13-7-9-4-5-10(19-2)11(6-9)21(17,18)16-12-15-14-8-20-12/h4-6,8,13H,3,7H2,1-2H3,(H,15,16)
InChIKeyVPFCTLCJPRKNFV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.46
Rot. Bonds7

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

5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 106081210) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID106081210
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C12H16N4O3S2/c1-3-13-7-9-4-5-10(19-2)11(6-9)21(17,18)16-12-15-14-8-20-12/h4-6,8,13H,3,7H2,1-2H3,(H,15,16)
InChIKeyVPFCTLCJPRKNFV-UHFFFAOYSA-N
XLogP1.46
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
4-(aminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081250
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817
3-chloro-4-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163351568
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
5-(ethylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081287
N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 83296865

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 106081210) is 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCNCc1ccc(OC)c(S(=O)(=O)Nc2nncs2)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is VPFCTLCJPRKNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-3-13-7-9-4-5-10(19-2)11(6-9)21(17,18)16-12-15-14-8-20-12/h4-6,8,13H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 328.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106081210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).