2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide

C14H17ClF3NO2S — CID 55353365

IUPAC2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H17ClF3NO2S/c1-2-7-19(9-10-3-4-10)22(20,21)13-8-11(14(16,17)18)5-6-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyNFGRZYVUONBZAI-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.17
Rot. Bonds6

About 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 55353365) has the molecular formula C14H17ClF3NO2S and a molecular weight of 355.81 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID55353365
Molecular FormulaC14H17ClF3NO2S
Molecular Weight355.81 g/mol
Exact Mass355.06
IUPAC Name2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H17ClF3NO2S/c1-2-7-19(9-10-3-4-10)22(20,21)13-8-11(14(16,17)18)5-6-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyNFGRZYVUONBZAI-UHFFFAOYSA-N
XLogP4.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide (CID 55353365) is 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide is CCCN(CC1CC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NFGRZYVUONBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO2S/c1-2-7-19(9-10-3-4-10)22(20,21)13-8-11(14(16,17)18)5-6-12(13)15/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 355.81 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55353365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).