N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide

C8H17Cl2NO2S — CID 98652950

IUPACN-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)C(C)(C)CCl
InChIInChI=1S/C8H17Cl2NO2S/c1-4-14(12,13)11(6-5-9)8(2,3)7-10/h4-7H2,1-3H3
InChIKeyIUVWNGFHTXKHNE-UHFFFAOYSA-N
MW262.20 g/mol
LogP1.89
Rot. Bonds6

About N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide

N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide (PubChem CID 98652950) has the molecular formula C8H17Cl2NO2S and a molecular weight of 262.20 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide
PubChem CID98652950
Molecular FormulaC8H17Cl2NO2S
Molecular Weight262.20 g/mol
Exact Mass261.04
IUPAC NameN-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCCl)C(C)(C)CCl
InChIInChI=1S/C8H17Cl2NO2S/c1-4-14(12,13)11(6-5-9)8(2,3)7-10/h4-7H2,1-3H3
InChIKeyIUVWNGFHTXKHNE-UHFFFAOYSA-N
XLogP1.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
CID 103521701
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
CID 82078169
N-(2-chloroethyl)-3-methyl-N-propylbutane-1-sulfonamide
CID 63856983
N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82840218
N-(2-chloroethyl)-3,3-dimethyl-N-propan-2-ylbutane-1-sulfonamide
CID 103521702
1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106731302
N,1-dichloro-N-propylmethanesulfonamide
CID 118574577
N-(2-chloroethyl)-N-ethylmethanesulfonamide
CID 63397656
N-(2-chloroethyl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106730904
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)ethanesulfonamide
CID 111439973
N-(1-amino-2-methylpropan-2-yl)-2-ethoxy-N-propylethanesulfonamide
CID 55175655

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide (CID 98652950) is N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide is CCS(=O)(=O)N(CCCl)C(C)(C)CCl.
What is the InChIKey of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide?
The InChIKey is IUVWNGFHTXKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Cl2NO2S/c1-4-14(12,13)11(6-5-9)8(2,3)7-10/h4-7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide?
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide has a molecular weight of 262.20 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 98652950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).