1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C16H21ClN4O3S2 — CID 119341551

IUPAC1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCCC1
InChIInChI=1S/C16H20N4O3S2.ClH/c17-16(7-2-1-3-8-16)14(21)19-12-5-4-6-13(11-12)25(22,23)20-15-18-9-10-24-15;/h4-6,9-11H,1-3,7-8,17H2,(H,18,20)(H,19,21);1H
InChIKeyVNWUUHFQJLXEKP-UHFFFAOYSA-N
MW416.96 g/mol
LogP2.97
Rot. Bonds5

About 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119341551) has the molecular formula C16H21ClN4O3S2 and a molecular weight of 416.96 g/mol. Its IUPAC name is 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119341551
Molecular FormulaC16H21ClN4O3S2
Molecular Weight416.96 g/mol
Exact Mass416.07
IUPAC Name1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCCC1
InChIInChI=1S/C16H20N4O3S2.ClH/c17-16(7-2-1-3-8-16)14(21)19-12-5-4-6-13(11-12)25(22,23)20-15-18-9-10-24-15;/h4-6,9-11H,1-3,7-8,17H2,(H,18,20)(H,19,21);1H
InChIKeyVNWUUHFQJLXEKP-UHFFFAOYSA-N
XLogP2.97
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.96
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
1-amino-N-[3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119283953
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502082
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120502083
1-amino-N-[3-(benzenesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119282587
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
1-amino-N-[3-(butan-2-ylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119341523
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119341551) is 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VNWUUHFQJLXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2.ClH/c17-16(7-2-1-3-8-16)14(21)19-12-5-4-6-13(11-12)25(22,23)20-15-18-9-10-24-15;/h4-6,9-11H,1-3,7-8,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 416.96 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).