4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide

C14H22FN3O2S — CID 115309057

IUPAC4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
SMILESCC1CCCCC1(CN)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H22FN3O2S/c1-10-4-2-3-7-14(10,9-16)18-13-6-5-11(8-12(13)15)21(17,19)20/h5-6,8,10,18H,2-4,7,9,16H2,1H3,(H2,17,19,20)
InChIKeyWMWHAOAZYLBQPF-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.79
Rot. Bonds4

About 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide

4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide (PubChem CID 115309057) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
PubChem CID115309057
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
SMILESCC1CCCCC1(CN)Nc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C14H22FN3O2S/c1-10-4-2-3-7-14(10,9-16)18-13-6-5-11(8-12(13)15)21(17,19)20/h5-6,8,10,18H,2-4,7,9,16H2,1H3,(H2,17,19,20)
InChIKeyWMWHAOAZYLBQPF-UHFFFAOYSA-N
XLogP1.79
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide (CID 115309057) is 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide is CC1CCCCC1(CN)Nc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide?
The InChIKey is WMWHAOAZYLBQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-10-4-2-3-7-14(10,9-16)18-13-6-5-11(8-12(13)15)21(17,19)20/h5-6,8,10,18H,2-4,7,9,16H2,1H3,(H2,17,19,20).
What are the key properties of 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide?
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide has a molecular weight of 315.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 115309057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).