tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid

C14H20Cl2N2O4S — CID 66671631

IUPACtert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O4S/c1-14(2,3)18(13(19)20)11(8-17-23(4,21)22)9-6-5-7-10(15)12(9)16/h5-7,11,17H,8H2,1-4H3,(H,19,20)
InChIKeyMWFPFNUIJWYFAD-UHFFFAOYSA-N
MW383.30 g/mol
LogP3.36
Rot. Bonds5

About tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid

tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid (PubChem CID 66671631) has the molecular formula C14H20Cl2N2O4S and a molecular weight of 383.30 g/mol. Its IUPAC name is tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid
PubChem CID66671631
Molecular FormulaC14H20Cl2N2O4S
Molecular Weight383.30 g/mol
Exact Mass382.05
IUPAC Nametert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O4S/c1-14(2,3)18(13(19)20)11(8-17-23(4,21)22)9-6-5-7-10(15)12(9)16/h5-7,11,17H,8H2,1-4H3,(H,19,20)
InChIKeyMWFPFNUIJWYFAD-UHFFFAOYSA-N
XLogP3.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[2-(methanesulfonamido)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 66671984
tert-butyl-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 66671778
2-[[(2,3-dichlorophenyl)sulfonylamino]methyl]butanoic acid
CID 65222532
tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
CID 59536886
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
tert-butyl-[(1R,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl]carbamic acid
CID 66812753
2-(2,3-dichlorophenyl)-2-propoxyacetic acid
CID 83224713
N-[1-[1-(2,3-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103902046
butyl-[2-(carbamoylamino)-1-(2,3-dichlorophenyl)ethyl]carbamic acid
CID 90715068
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid (CID 66671631) is tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid is CC(C)(C)N(C(=O)O)C(CNS(C)(=O)=O)c1cccc(Cl)c1Cl.
What is the InChIKey of tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid?
The InChIKey is MWFPFNUIJWYFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O4S/c1-14(2,3)18(13(19)20)11(8-17-23(4,21)22)9-6-5-7-10(15)12(9)16/h5-7,11,17H,8H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid?
tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid has a molecular weight of 383.30 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2,3-dichlorophenyl)-2-(methanesulfonamido)ethyl]carbamic acid is sourced from PubChem (CID 66671631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).