4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C16H20N4O3S2 — CID 71662567

IUPAC4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)C1CCCCC1
InChIInChI=1S/C16H20N4O3S2/c17-15-14(13(21)10-4-2-1-3-5-10)24-16(20-15)19-11-6-8-12(9-7-11)25(18,22)23/h6-10H,1-5,17H2,(H,19,20)(H2,18,22,23)
InChIKeyOHJQDFMOZCZJJY-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.88
Rot. Bonds5

About 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 71662567) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID71662567
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)C1CCCCC1
InChIInChI=1S/C16H20N4O3S2/c17-15-14(13(21)10-4-2-1-3-5-10)24-16(20-15)19-11-6-8-12(9-7-11)25(18,22)23/h6-10H,1-5,17H2,(H,19,20)(H2,18,22,23)
InChIKeyOHJQDFMOZCZJJY-UHFFFAOYSA-N
XLogP2.88
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 71662567) is 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)C1CCCCC1.
What is the InChIKey of 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is OHJQDFMOZCZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c17-15-14(13(21)10-4-2-1-3-5-10)24-16(20-15)19-11-6-8-12(9-7-11)25(18,22)23/h6-10H,1-5,17H2,(H,19,20)(H2,18,22,23).
What are the key properties of 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 380.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(cyclohexanecarbonyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 71662567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).