2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H22F2N2O2S — CID 105118979

IUPAC2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1cc(F)c(F)c(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22F2N2O2S/c1-9(2)17-8-11-6-12(15)14(16)13(7-11)21(19,20)18(5)10(3)4/h6-7,9-10,17H,8H2,1-5H3
InChIKeyGCOVXKXHORKELB-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.49
Rot. Bonds6

About 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide

2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 105118979) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID105118979
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1cc(F)c(F)c(S(=O)(=O)N(C)C(C)C)c1
InChIInChI=1S/C14H22F2N2O2S/c1-9(2)17-8-11-6-12(15)14(16)13(7-11)21(19,20)18(5)10(3)4/h6-7,9-10,17H,8H2,1-5H3
InChIKeyGCOVXKXHORKELB-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
N-benzyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 779504
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
3-(fluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10108068
3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10634951
N-ethyl-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 11196556
4-{2-[(2-Fluorobenzyl)amino]ethyl}benzenesulfonamide
CID 1817956
N-(1-benzylpiperidin-4-yl)-3,4-difluorobenzene-1-sulfonamide
CID 2384883
4-{2-[(4-Fluorobenzyl)amino]ethyl}benzenesulfonamide
CID 4718105
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid ethylamide
CID 11312887
(R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid propylamide
CID 11438678

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 105118979) is 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1cc(F)c(F)c(S(=O)(=O)N(C)C(C)C)c1.
What is the InChIKey of 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is GCOVXKXHORKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-9(2)17-8-11-6-12(15)14(16)13(7-11)21(19,20)18(5)10(3)4/h6-7,9-10,17H,8H2,1-5H3.
What are the key properties of 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 105118979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).