(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide

C21H21ClN4O4S2 — CID 22308288

IUPAC(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N\S(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C21H21ClN4O4S2/c1-30-17-9-7-16(8-10-17)26-23-19(21(27)25-13-3-2-4-14-25)20(31-26)24-32(28,29)18-11-5-15(22)6-12-18/h5-12H,2-4,13-14H2,1H3/b24-20+
InChIKeyZERAFYLQMPXGKD-HIXSDJFHSA-N
MW493.01 g/mol
LogP3.51
Rot. Bonds5

About (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide

(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide (PubChem CID 22308288) has the molecular formula C21H21ClN4O4S2 and a molecular weight of 493.01 g/mol. Its IUPAC name is (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide
PubChem CID22308288
Molecular FormulaC21H21ClN4O4S2
Molecular Weight493.01 g/mol
Exact Mass492.07
IUPAC Name(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N\S(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C21H21ClN4O4S2/c1-30-17-9-7-16(8-10-17)26-23-19(21(27)25-13-3-2-4-14-25)20(31-26)24-32(28,29)18-11-5-15(22)6-12-18/h5-12H,2-4,13-14H2,1H3/b24-20+
InChIKeyZERAFYLQMPXGKD-HIXSDJFHSA-N
XLogP3.51
TPSA93.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 17038448
2,4-dichloro-N-[2-(4-chlorophenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzamide
CID 4979626
[5-amino-1-(4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 6498260
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
[4-(azepan-1-ylsulfonyl)phenyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918401
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
2-(4-chlorophenyl)-6-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2017874
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
[5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91238533

Frequently Asked Questions

What is the IUPAC name of (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide (CID 22308288) is (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide is COc1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N\S(=O)(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide?
The InChIKey is ZERAFYLQMPXGKD-HIXSDJFHSA-N. The full InChI is InChI=1S/C21H21ClN4O4S2/c1-30-17-9-7-16(8-10-17)26-23-19(21(27)25-13-3-2-4-14-25)20(31-26)24-32(28,29)18-11-5-15(22)6-12-18/h5-12H,2-4,13-14H2,1H3/b24-20+.
What are the key properties of (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide?
(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide has a molecular weight of 493.01 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide is sourced from PubChem (CID 22308288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).