3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

C14H15ClN4O4S2 — CID 21081319

IUPAC3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(C(=O)N2CCOCC2)ns1
InChIInChI=1S/C14H15ClN4O4S2/c1-9-10(15)3-2-4-11(9)25(21,22)18-14-16-12(17-24-14)13(20)19-5-7-23-8-6-19/h2-4H,5-8H2,1H3,(H,16,17,18)
InChIKeyBOUJCZWGNNRRRI-UHFFFAOYSA-N
MW402.89 g/mol
LogP1.77
Rot. Bonds4

About 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 21081319) has the molecular formula C14H15ClN4O4S2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID21081319
Molecular FormulaC14H15ClN4O4S2
Molecular Weight402.89 g/mol
Exact Mass402.02
IUPAC Name3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(C(=O)N2CCOCC2)ns1
InChIInChI=1S/C14H15ClN4O4S2/c1-9-10(15)3-2-4-11(9)25(21,22)18-14-16-12(17-24-14)13(20)19-5-7-23-8-6-19/h2-4H,5-8H2,1H3,(H,16,17,18)
InChIKeyBOUJCZWGNNRRRI-UHFFFAOYSA-N
XLogP1.77
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 21081319) is 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C(=O)N2CCOCC2)ns1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is BOUJCZWGNNRRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4S2/c1-9-10(15)3-2-4-11(9)25(21,22)18-14-16-12(17-24-14)13(20)19-5-7-23-8-6-19/h2-4H,5-8H2,1H3,(H,16,17,18).
What are the key properties of 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 402.89 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(morpholine-4-carbonyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 21081319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).