3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide

C12H14ClN3O3S2 — CID 10193584

IUPAC3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCOCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C12H14ClN3O3S2/c1-8-9(13)4-3-5-10(8)21(17,18)16-12-15-14-11(20-12)6-7-19-2/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyFALAQAKNESKSKZ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.49
Rot. Bonds6

About 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide

3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 10193584) has the molecular formula C12H14ClN3O3S2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID10193584
Molecular FormulaC12H14ClN3O3S2
Molecular Weight347.85 g/mol
Exact Mass347.02
IUPAC Name3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCOCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2C)s1
InChIInChI=1S/C12H14ClN3O3S2/c1-8-9(13)4-3-5-10(8)21(17,18)16-12-15-14-11(20-12)6-7-19-2/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyFALAQAKNESKSKZ-UHFFFAOYSA-N
XLogP2.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 10286794
3-chloro-N-[4-(2-methoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 87546416
1-(4-chlorophenyl)-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 46971770
3,3-bis[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]-4-ethoxy-4-oxobutanoic acid
CID 90903195
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081335
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]propyl methanesulfonate
CID 87546687
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-2-methoxypropanamide
CID 91435720
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082813
3-chloro-2-methyl-N-[4-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 87546782
[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate
CID 10269933
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 11199690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide (CID 10193584) is 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide is COCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2C)s1.
What is the InChIKey of 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is FALAQAKNESKSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S2/c1-8-9(13)4-3-5-10(8)21(17,18)16-12-15-14-11(20-12)6-7-19-2/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 347.85 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 10193584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).