2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate

C9H14N2O5S2 — CID 101414812

IUPAC2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
SMILESCc1ccc(S(=O)(=O)NCCOS(N)(=O)=O)cc1
InChIInChI=1S/C9H14N2O5S2/c1-8-2-4-9(5-3-8)17(12,13)11-6-7-16-18(10,14)15/h2-5,11H,6-7H2,1H3,(H2,10,14,15)
InChIKeyYEMNHANYJBMZBR-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.51
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate

2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate (PubChem CID 101414812) has the molecular formula C9H14N2O5S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
PubChem CID101414812
Molecular FormulaC9H14N2O5S2
Molecular Weight294.35 g/mol
Exact Mass294.03
IUPAC Name2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
SMILESCc1ccc(S(=O)(=O)NCCOS(N)(=O)=O)cc1
InChIInChI=1S/C9H14N2O5S2/c1-8-2-4-9(5-3-8)17(12,13)11-6-7-16-18(10,14)15/h2-5,11H,6-7H2,1H3,(H2,10,14,15)
InChIKeyYEMNHANYJBMZBR-UHFFFAOYSA-N
XLogP-0.51
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]benzenesulfonamide
CID 10532319
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]hex-3-ynyl]benzenesulfonamide
CID 100943896
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
3-[(4-methylphenyl)sulfonylamino]propyl trifluoromethanesulfonate
CID 10992051
4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 14069626
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate (CID 101414812) is 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate is Cc1ccc(S(=O)(=O)NCCOS(N)(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate?
The InChIKey is YEMNHANYJBMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S2/c1-8-2-4-9(5-3-8)17(12,13)11-6-7-16-18(10,14)15/h2-5,11H,6-7H2,1H3,(H2,10,14,15).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate?
2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate has a molecular weight of 294.35 g/mol, XLogP of -0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate is sourced from PubChem (CID 101414812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).