2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline

C18H21F2N3O2S — CID 18508888

IUPAC2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
SMILESCNc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H21F2N3O2S/c1-21-17-12-15(23-7-5-22(2)6-8-23)3-4-18(17)26(24,25)16-10-13(19)9-14(20)11-16/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyBMXMPVOCNZTRGJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.59
Rot. Bonds4

About 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline

2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline (PubChem CID 18508888) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
PubChem CID18508888
Molecular FormulaC18H21F2N3O2S
Molecular Weight381.45 g/mol
Exact Mass381.13
IUPAC Name2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
SMILESCNc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H21F2N3O2S/c1-21-17-12-15(23-7-5-22(2)6-8-23)3-4-18(17)26(24,25)16-10-13(19)9-14(20)11-16/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyBMXMPVOCNZTRGJ-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-difluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)phenyl]butanamide
CID 90802798
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508923
2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
CID 18508958
2-(3-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline
CID 18508938
2-(3,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-N-propylaniline
CID 18508983
2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278
2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline
CID 10131620
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
CID 22272539
N-ethyl-N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508987
N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(2-methylpropylamino)benzamide
CID 66736880
2-amino-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 80645856

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline?
The IUPAC name of 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline (CID 18508888) is 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline.
What is the SMILES notation for 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline?
The canonical SMILES for 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline is CNc1cc(N2CCN(C)CC2)ccc1S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline?
The InChIKey is BMXMPVOCNZTRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c1-21-17-12-15(23-7-5-22(2)6-8-23)3-4-18(17)26(24,25)16-10-13(19)9-14(20)11-16/h3-4,9-12,21H,5-8H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline?
2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline has a molecular weight of 381.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline is sourced from PubChem (CID 18508888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).