ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride

C10H11Cl2N3O4S — CID 88721459

IUPACethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride
SMILESCCOC(=O)Nc1nc2ccc(S(=O)(=O)Cl)cc2[nH]1.Cl
InChIInChI=1S/C10H10ClN3O4S.ClH/c1-2-18-10(15)14-9-12-7-4-3-6(19(11,16)17)5-8(7)13-9;/h3-5H,2H2,1H3,(H2,12,13,14,15);1H
InChIKeyXXPZSTVZWGGHTM-UHFFFAOYSA-N
MW340.19 g/mol
LogP2.48
Rot. Bonds3

About ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride

ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride (PubChem CID 88721459) has the molecular formula C10H11Cl2N3O4S and a molecular weight of 340.19 g/mol. Its IUPAC name is ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nameethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride
PubChem CID88721459
Molecular FormulaC10H11Cl2N3O4S
Molecular Weight340.19 g/mol
Exact Mass338.98
IUPAC Nameethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride
SMILESCCOC(=O)Nc1nc2ccc(S(=O)(=O)Cl)cc2[nH]1.Cl
InChIInChI=1S/C10H10ClN3O4S.ClH/c1-2-18-10(15)14-9-12-7-4-3-6(19(11,16)17)5-8(7)13-9;/h3-5H,2H2,1H3,(H2,12,13,14,15);1H
InChIKeyXXPZSTVZWGGHTM-UHFFFAOYSA-N
XLogP2.48
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[6-[2-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-yl]carbamate
CID 4109942
propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate
CID 10267712
methyl N-(6-hexylsulfonyl-1H-benzimidazol-2-yl)carbamate
CID 70630653
ethyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
CID 14740805
methyl N-(6-octylsulfonyl-1H-benzimidazol-2-yl)carbamate
CID 71323488
(3,5-dichlorophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate
CID 23347918
(4-chlorophenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate
CID 23347940
ethyl N-[6-[2-(2-aminoethylamino)pyrimidin-5-yl]-1H-benzimidazol-2-yl]carbamate
CID 21366076
(2-chloro-6-methylphenyl) 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate
CID 23347988
ethyl 6-methylsulfonyl-1H-benzimidazole-2-carboxylate
CID 63357941
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201
heptyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
CID 163361753

Frequently Asked Questions

What is the IUPAC name of ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride?
The IUPAC name of ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride (CID 88721459) is ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride.
What is the SMILES notation for ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride?
The canonical SMILES for ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride is CCOC(=O)Nc1nc2ccc(S(=O)(=O)Cl)cc2[nH]1.Cl.
What is the InChIKey of ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride?
The InChIKey is XXPZSTVZWGGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S.ClH/c1-2-18-10(15)14-9-12-7-4-3-6(19(11,16)17)5-8(7)13-9;/h3-5H,2H2,1H3,(H2,12,13,14,15);1H.
What are the key properties of ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride?
ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride has a molecular weight of 340.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(6-chlorosulfonyl-1H-benzimidazol-2-yl)carbamate;hydrochloride is sourced from PubChem (CID 88721459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).