methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate

C9H13N3O6S2 — CID 114465998

IUPACmethyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C9H13N3O6S2/c1-6-7(4-3-5-8(6)19(10,14)15)11-20(16,17)12-9(13)18-2/h3-5,11H,1-2H3,(H,12,13)(H2,10,14,15)
InChIKeyFTCKOPNQPINCSL-UHFFFAOYSA-N
MW323.35 g/mol
LogP-0.34
Rot. Bonds4

About methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate

methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate (PubChem CID 114465998) has the molecular formula C9H13N3O6S2 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
PubChem CID114465998
Molecular FormulaC9H13N3O6S2
Molecular Weight323.35 g/mol
Exact Mass323.02
IUPAC Namemethyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1C
InChIInChI=1S/C9H13N3O6S2/c1-6-7(4-3-5-8(6)19(10,14)15)11-20(16,17)12-9(13)18-2/h3-5,11H,1-2H3,(H,12,13)(H2,10,14,15)
InChIKeyFTCKOPNQPINCSL-UHFFFAOYSA-N
XLogP-0.34
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
ethyl N-[(3-bromo-2-methylphenyl)sulfamoyl]carbamate
CID 107640756
3-(2-methoxyethylsulfamoylamino)-2-methylbenzenesulfonamide
CID 114816608
methyl 2-(methoxycarbonylsulfamoylamino)benzoate
CID 115872550
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
2-(2-methyl-3-sulfamoylanilino)propanoic acid
CID 66173145
N-(2-methyl-3-sulfamoylphenyl)formamide
CID 64992566
2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79593105
azane;ethane;methyl N-(2-methyl-3-nitrophenyl)sulfonylcarbamate;2-methyl-3-nitrobenzenesulfonamide;2-methyl-3-nitrobenzenesulfonyl chloride
CID 161085567
ethyl 4-(2-methyl-3-sulfamoylanilino)-4-oxobutanoate
CID 61362191
(2S,3S)-2-amino-3-methyl-N-(2-methyl-3-sulfamoylphenyl)pentanamide
CID 61164806
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate (CID 114465998) is methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1C.
What is the InChIKey of methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate?
The InChIKey is FTCKOPNQPINCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6S2/c1-6-7(4-3-5-8(6)19(10,14)15)11-20(16,17)12-9(13)18-2/h3-5,11H,1-2H3,(H,12,13)(H2,10,14,15).
What are the key properties of methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate?
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114465998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).