2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide

C11H16ClNO4S2 — CID 35290992

IUPAC2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClNO4S2/c1-4-13(5-2)19(16,17)11-8-9(18(3,14)15)6-7-10(11)12/h6-8H,4-5H2,1-3H3
InChIKeyVFMYAOJQSOSQHD-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.77
Rot. Bonds5

About 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide

2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 35290992) has the molecular formula C11H16ClNO4S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
PubChem CID35290992
Molecular FormulaC11H16ClNO4S2
Molecular Weight325.84 g/mol
Exact Mass325.02
IUPAC Name2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H16ClNO4S2/c1-4-13(5-2)19(16,17)11-8-9(18(3,14)15)6-7-10(11)12/h6-8H,4-5H2,1-3H3
InChIKeyVFMYAOJQSOSQHD-UHFFFAOYSA-N
XLogP1.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 115776360
ethyl 2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-propylamino]acetate
CID 47059378
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]acetic acid
CID 43245200
2-chloro-N,N-diethyl-5-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methylamino]benzenesulfonamide
CID 55989469
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
methyl 3-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-methylamino]propanoate
CID 55905314
3,4-dichloro-N-(2-chloroethyl)-N-ethylbenzenesulfonamide
CID 63397566
2,5-dichloro-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 78970204
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)-5-nitrobenzenesulfonamide
CID 43389502
2-chloro-N-(3-hydroxypropyl)-5-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 71913435

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide (CID 35290992) is 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is VFMYAOJQSOSQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S2/c1-4-13(5-2)19(16,17)11-8-9(18(3,14)15)6-7-10(11)12/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide?
2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 325.84 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 35290992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).