2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide

C11H11ClN4O3S2 — CID 10286794

IUPAC2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nnc(CC(N)=O)s1
InChIInChI=1S/C11H11ClN4O3S2/c1-6-7(12)3-2-4-8(6)21(18,19)16-11-15-14-10(20-11)5-9(13)17/h2-4H,5H2,1H3,(H2,13,17)(H,15,16)
InChIKeySVHYYPVIEKENEV-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.33
Rot. Bonds5

About 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide

2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 10286794) has the molecular formula C11H11ClN4O3S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID10286794
Molecular FormulaC11H11ClN4O3S2
Molecular Weight346.82 g/mol
Exact Mass346.00
IUPAC Name2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nnc(CC(N)=O)s1
InChIInChI=1S/C11H11ClN4O3S2/c1-6-7(12)3-2-4-8(6)21(18,19)16-11-15-14-10(20-11)5-9(13)17/h2-4H,5H2,1H3,(H2,13,17)(H,15,16)
InChIKeySVHYYPVIEKENEV-UHFFFAOYSA-N
XLogP1.33
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzenesulfonamide
CID 10193584
3,3-bis[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]-4-ethoxy-4-oxobutanoic acid
CID 90903195
ethyl 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 11199690
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide
CID 10237688
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
[2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methyl-1,3-thiazol-5-yl] acetate
CID 10269933
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
CID 87545717
N-[4-(2-bromoethyl)-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 11292384
3-chloro-N-[3-[2-(diethylamino)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide;2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-methoxy-N-methylacetamide
CID 172777152
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106089754

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide (CID 10286794) is 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nnc(CC(N)=O)s1.
What is the InChIKey of 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is SVHYYPVIEKENEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3S2/c1-6-7(12)3-2-4-8(6)21(18,19)16-11-15-14-10(20-11)5-9(13)17/h2-4H,5H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide?
2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 10286794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).