4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride

C13H18Cl2N2O5S — CID 45156351

IUPAC4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
SMILESCOCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O5S/c1-21-7-5-17(6-8-22-2)13(18)16-10-3-4-12(11(14)9-10)23(15,19)20/h3-4,9H,5-8H2,1-2H3,(H,16,18)
InChIKeyQSUFKGWMVDCUSC-UHFFFAOYSA-N
MW385.27 g/mol
LogP2.39
Rot. Bonds8

About 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride

4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride (PubChem CID 45156351) has the molecular formula C13H18Cl2N2O5S and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
PubChem CID45156351
Molecular FormulaC13H18Cl2N2O5S
Molecular Weight385.27 g/mol
Exact Mass384.03
IUPAC Name4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride
SMILESCOCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O5S/c1-21-7-5-17(6-8-22-2)13(18)16-10-3-4-12(11(14)9-10)23(15,19)20/h3-4,9H,5-8H2,1-2H3,(H,16,18)
InChIKeyQSUFKGWMVDCUSC-UHFFFAOYSA-N
XLogP2.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(dibutylcarbamoylamino)benzenesulfonyl chloride
CID 45156372
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
3-(1H-indol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 56825813
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
CID 154872347
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251
3-[3-(1-aminoethyl)phenyl]-1,1-bis(2-methoxyethyl)urea
CID 61418847
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 107576404
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108501243

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride?
The IUPAC name of 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride (CID 45156351) is 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride?
The canonical SMILES for 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride is COCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)Cl)c(Cl)c1.
What is the InChIKey of 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride?
The InChIKey is QSUFKGWMVDCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O5S/c1-21-7-5-17(6-8-22-2)13(18)16-10-3-4-12(11(14)9-10)23(15,19)20/h3-4,9H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride?
4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride has a molecular weight of 385.27 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)carbamoylamino]-2-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 45156351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).