N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

C17H23FN4O2S — CID 119986182

IUPACN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(=O)(=O)NC3CCCCC3CN)cc2F)c1
InChIInChI=1S/C17H23FN4O2S/c1-12-10-20-22(11-12)17-7-6-14(8-15(17)18)25(23,24)21-16-5-3-2-4-13(16)9-19/h6-8,10-11,13,16,21H,2-5,9,19H2,1H3
InChIKeyIVDLJKWZUKVQLJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 119986182) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID119986182
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCc1cnn(-c2ccc(S(=O)(=O)NC3CCCCC3CN)cc2F)c1
InChIInChI=1S/C17H23FN4O2S/c1-12-10-20-22(11-12)17-7-6-14(8-15(17)18)25(23,24)21-16-5-3-2-4-13(16)9-19/h6-8,10-11,13,16,21H,2-5,9,19H2,1H3
InChIKeyIVDLJKWZUKVQLJ-UHFFFAOYSA-N
XLogP2.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (CID 119986182) is N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is Cc1cnn(-c2ccc(S(=O)(=O)NC3CCCCC3CN)cc2F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is IVDLJKWZUKVQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c1-12-10-20-22(11-12)17-7-6-14(8-15(17)18)25(23,24)21-16-5-3-2-4-13(16)9-19/h6-8,10-11,13,16,21H,2-5,9,19H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 119986182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).