N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide

C19H19BrN2O2S3 — CID 4535699

IUPACN-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=c1scc(-c2ccc(Br)cc2)n1C1CCCCC1)c1cccs1
InChIInChI=1S/C19H19BrN2O2S3/c20-15-10-8-14(9-11-15)17-13-26-19(22(17)16-5-2-1-3-6-16)21-27(23,24)18-7-4-12-25-18/h4,7-13,16H,1-3,5-6H2
InChIKeyLGWZSLHSRYTHGT-UHFFFAOYSA-N
MW483.48 g/mol
LogP5.84
Rot. Bonds4

About N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide

N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide (PubChem CID 4535699) has the molecular formula C19H19BrN2O2S3 and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide
PubChem CID4535699
Molecular FormulaC19H19BrN2O2S3
Molecular Weight483.48 g/mol
Exact Mass481.98
IUPAC NameN-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=c1scc(-c2ccc(Br)cc2)n1C1CCCCC1)c1cccs1
InChIInChI=1S/C19H19BrN2O2S3/c20-15-10-8-14(9-11-15)17-13-26-19(22(17)16-5-2-1-3-6-16)21-27(23,24)18-7-4-12-25-18/h4,7-13,16H,1-3,5-6H2
InChIKeyLGWZSLHSRYTHGT-UHFFFAOYSA-N
XLogP5.84
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(4-bromophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675461
N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 3276748
N-[4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 3438566
N-[4-(4-bromophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 3629431
(NE)-N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 5780323
1-({[4-(4-Bromophenyl)-3-ethyl(1,3-thiazolin-2-ylidene)]azamethyl}sulfonyl)-4-fluorobenzene
CID 5826352
1-({[4-(4-Bromophenyl)-3-prop-2-enyl(1,3-thiazolin-2-ylidene)]azamethyl}sulfon yl)-4-fluorobenzene
CID 5879802
N-(4-(4-bromophenyl)-3-ethyl-1,3-thiazol-2(3H)-ylidene)benzenesulfonamide
CID 1033384
1-[(4-Bromophenyl)(phenyl)methyl]-4-(thiophene-2-sulfonyl)piperazine
CID 46100904
N-[4-(4-bromophenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 1193138
N-[4-(4-bromophenyl)-3-(3-methoxypropyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 1630095
4-bromo-N-(3-cyclohexyl-4-phenyl-1,3-thiazol-2-ylidene)benzenesulfonamide
CID 3403466

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide (CID 4535699) is N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide is O=S(=O)(N=c1scc(-c2ccc(Br)cc2)n1C1CCCCC1)c1cccs1.
What is the InChIKey of N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide?
The InChIKey is LGWZSLHSRYTHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2S3/c20-15-10-8-14(9-11-15)17-13-26-19(22(17)16-5-2-1-3-6-16)21-27(23,24)18-7-4-12-25-18/h4,7-13,16H,1-3,5-6H2.
What are the key properties of N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide?
N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide has a molecular weight of 483.48 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-3-cyclohexyl-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 4535699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).