N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide

C15H20F3N3O3S — CID 24946000

IUPACN-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3O3S/c16-15(17,18)13-9-12(20-21-5-7-24-8-6-21)3-4-14(13)25(22,23)19-10-11-1-2-11/h3-4,9,11,19-20H,1-2,5-8,10H2
InChIKeyGBKYWMPQGYRQAQ-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.05
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide

N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 24946000) has the molecular formula C15H20F3N3O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID24946000
Molecular FormulaC15H20F3N3O3S
Molecular Weight379.40 g/mol
Exact Mass379.12
IUPAC NameN-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1ccc(NN2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C15H20F3N3O3S/c16-15(17,18)13-9-12(20-21-5-7-24-8-6-21)3-4-14(13)25(22,23)19-10-11-1-2-11/h3-4,9,11,19-20H,1-2,5-8,10H2
InChIKeyGBKYWMPQGYRQAQ-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropylpropan-2-yl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 24945996
4-(azepan-1-ylamino)-N-(cyclopropylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 24945998
N-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 24946357
N-(cyclopropylmethyl)-4-(4-morpholin-4-ylanilino)-2-(trifluoromethyl)benzenesulfonamide
CID 24947613
N-(cyclopropylmethyl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 68491144
4-(Morpholinosulfonyl)-2-(trifluoromethyl)aniline
CID 3619797
4-(4-Methoxypiperidin-1-yl)sulfonyl-3-(trifluoromethyl)aniline
CID 21519192
N-(2-cyclopropylpropyl)-4-(piperidin-1-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 68489368
4-(azepan-1-ylamino)-N-(1-cyclopropylpropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 68490322
4-(azepan-1-ylamino)-N-(2-cyclopropylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 68493073
2-(Fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
CID 70908253
N-(2-cyclopropylpropan-2-yl)-2-(fluoromethyl)-4-(piperidin-1-ylamino)benzenesulfonamide
CID 70908262

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide (CID 24946000) is N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC1)c1ccc(NN2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GBKYWMPQGYRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3S/c16-15(17,18)13-9-12(20-21-5-7-24-8-6-21)3-4-14(13)25(22,23)19-10-11-1-2-11/h3-4,9,11,19-20H,1-2,5-8,10H2.
What are the key properties of N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide?
N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(morpholin-4-ylamino)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24946000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).