4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide

C10H16N2O8S4 — CID 163361981

IUPAC4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cc(CN(S(C)(=O)=O)S(C)(=O)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O8S4/c1-21(13,14)10-6-8(4-5-9(10)24(11,19)20)7-12(22(2,15)16)23(3,17)18/h4-6H,7H2,1-3H3,(H2,11,19,20)
InChIKeyOKCPKWMZVGAYNQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP-1.54
Rot. Bonds6

About 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide

4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide (PubChem CID 163361981) has the molecular formula C10H16N2O8S4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide
PubChem CID163361981
Molecular FormulaC10H16N2O8S4
Molecular Weight420.51 g/mol
Exact Mass419.98
IUPAC Name4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cc(CN(S(C)(=O)=O)S(C)(=O)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C10H16N2O8S4/c1-21(13,14)10-6-8(4-5-9(10)24(11,19)20)7-12(22(2,15)16)23(3,17)18/h4-6H,7H2,1-3H3,(H2,11,19,20)
InChIKeyOKCPKWMZVGAYNQ-UHFFFAOYSA-N
XLogP-1.54
TPSA165.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3,4-bis(methylsulfonyl)phenyl]-2-methylpropan-2-amine
CID 117490792
5-[(dimethylamino)methyl]-2-nitrobenzenesulfonamide
CID 177043028
1-bromo-4-(fluoromethyl)-2-methylsulfonylbenzene
CID 118026707
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
4-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 18629047
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
2-methylsulfonyl-5-propylphenol
CID 174640128
4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-methylsulfonylbenzenesulfonamide
CID 56563992
5-ethyl-2,3-dimethylbenzenesulfonamide
CID 58109757
5-(4-aminobutyl)-2-methylsulfonylphenol
CID 117360580
1-[(4-fluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-amine
CID 117360007
3-(3-hydroxy-4-methylsulfonylphenyl)propanamide
CID 68518309

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide?
The IUPAC name of 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide (CID 163361981) is 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1cc(CN(S(C)(=O)=O)S(C)(=O)=O)ccc1S(N)(=O)=O.
What is the InChIKey of 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide?
The InChIKey is OKCPKWMZVGAYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8S4/c1-21(13,14)10-6-8(4-5-9(10)24(11,19)20)7-12(22(2,15)16)23(3,17)18/h4-6H,7H2,1-3H3,(H2,11,19,20).
What are the key properties of 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide?
4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide has a molecular weight of 420.51 g/mol, XLogP of -1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(methylsulfonyl)amino]methyl]-2-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 163361981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).