3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C11H11Cl2F3N2O2S — CID 106218763

IUPAC3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C11H11Cl2F3N2O2S/c12-7-3-6(5-17)9(13)8(4-7)21(19,20)18-10(1-2-10)11(14,15)16/h3-4,18H,1-2,5,17H2
InChIKeyCGECBJIGCABNHI-UHFFFAOYSA-N
MW363.19 g/mol
LogP2.83
Rot. Bonds4

About 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106218763) has the molecular formula C11H11Cl2F3N2O2S and a molecular weight of 363.19 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106218763
Molecular FormulaC11H11Cl2F3N2O2S
Molecular Weight363.19 g/mol
Exact Mass361.99
IUPAC Name3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C11H11Cl2F3N2O2S/c12-7-3-6(5-17)9(13)8(4-7)21(19,20)18-10(1-2-10)11(14,15)16/h3-4,18H,1-2,5,17H2
InChIKeyCGECBJIGCABNHI-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-chloro-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218679
3-(aminomethyl)-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218648
3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106217438
2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
3-(aminomethyl)-2,5-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092698
5-bromo-2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
CID 106211284
3-(aminomethyl)-2,5-dichloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053720
3-(aminomethyl)-N-(2-bromophenyl)-2,5-dichlorobenzenesulfonamide
CID 106061184
3-(aminomethyl)-2,5-dichloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 106078374
5-amino-3-bromo-2-fluoro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208595

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106218763) is 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is CGECBJIGCABNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O2S/c12-7-3-6(5-17)9(13)8(4-7)21(19,20)18-10(1-2-10)11(14,15)16/h3-4,18H,1-2,5,17H2.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 363.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106218763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).