3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide

C10H17N3O4S2 — CID 43545886

IUPAC3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O4S2/c1-8-5-9(11)7-10(6-8)19(16,17)13-4-3-12-18(2,14)15/h5-7,12-13H,3-4,11H2,1-2H3
InChIKeyUFALWJKSQDLGGJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.60
Rot. Bonds6

About 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide

3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide (PubChem CID 43545886) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
PubChem CID43545886
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCNS(C)(=O)=O)c1
InChIInChI=1S/C10H17N3O4S2/c1-8-5-9(11)7-10(6-8)19(16,17)13-4-3-12-18(2,14)15/h5-7,12-13H,3-4,11H2,1-2H3
InChIKeyUFALWJKSQDLGGJ-UHFFFAOYSA-N
XLogP-0.60
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-methyl-N-pentylbenzenesulfonamide
CID 43256263
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylbenzenesulfonamide
CID 43256310
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674
3-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-5-methylbenzenesulfonamide
CID 63862103
3-amino-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 43255883
3-[(3-amino-5-methylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126072
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 63824969
N-(3-aminopropyl)-3,5-dimethylbenzenesulfonamide
CID 60777976
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460006

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide (CID 43545886) is 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCNS(C)(=O)=O)c1.
What is the InChIKey of 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is UFALWJKSQDLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-8-5-9(11)7-10(6-8)19(16,17)13-4-3-12-18(2,14)15/h5-7,12-13H,3-4,11H2,1-2H3.
What are the key properties of 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide?
3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(methanesulfonamido)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 43545886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).