4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide

C11H17ClN2O2S — CID 57295834

IUPAC4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(5-2)17(15,16)9-6-8(3)11(13)10(12)7-9/h6-7H,4-5,13H2,1-3H3
InChIKeyRGGQNSFSRBGKLP-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.26
Rot. Bonds4

About 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide

4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide (PubChem CID 57295834) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide
PubChem CID57295834
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(C)c(N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-4-14(5-2)17(15,16)9-6-8(3)11(13)10(12)7-9/h6-7H,4-5,13H2,1-3H3
InChIKeyRGGQNSFSRBGKLP-UHFFFAOYSA-N
XLogP2.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(4-amino-3-chloro-5-methylbenzenesulfonate);nickel(2+)
CID 101303858
2-amino-5-chloro-N,N-diethyl-4-methylbenzenesulfonamide
CID 57246919
3-chloro-N,N-diethyl-4-methyl-5-nitrobenzenesulfonamide
CID 8777755
3-amino-5-chloro-N-ethyl-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 61112529
3-amino-N-ethyl-4,5-dimethyl-N-propylbenzenesulfonamide
CID 43268301
4-amino-N-ethyl-N-(3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 113468571
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
3-amino-5-chloro-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61139914
4-[[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 22546622
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587581

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide (CID 57295834) is 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(C)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide?
The InChIKey is RGGQNSFSRBGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-4-14(5-2)17(15,16)9-6-8(3)11(13)10(12)7-9/h6-7H,4-5,13H2,1-3H3.
What are the key properties of 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide?
4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N,N-diethyl-5-methylbenzenesulfonamide is sourced from PubChem (CID 57295834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).