3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea

C17H18ClN3O3S — CID 70422123

IUPAC3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18ClN3O3S/c1-2-21(17(22)20-14-5-3-13(18)4-6-14)25(23,24)15-7-8-16-12(11-15)9-10-19-16/h3-8,11,19H,2,9-10H2,1H3,(H,20,22)
InChIKeyAPJMFBIJMYQFPB-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.55
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea

3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea (PubChem CID 70422123) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea
PubChem CID70422123
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea
SMILESCCN(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18ClN3O3S/c1-2-21(17(22)20-14-5-3-13(18)4-6-14)25(23,24)15-7-8-16-12(11-15)9-10-19-16/h3-8,11,19H,2,9-10H2,1H3,(H,20,22)
InChIKeyAPJMFBIJMYQFPB-UHFFFAOYSA-N
XLogP3.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1H-indol-5-yl)-1,1-diethylurea
CID 79161283
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61435584
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
N-(5-hydroxypentyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 107200821
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
2,4-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzamide
CID 63252988
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43614367
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43274848

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea (CID 70422123) is 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea is CCN(C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea?
The InChIKey is APJMFBIJMYQFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-2-21(17(22)20-14-5-3-13(18)4-6-14)25(23,24)15-7-8-16-12(11-15)9-10-19-16/h3-8,11,19H,2,9-10H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea?
3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea has a molecular weight of 379.87 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-1-ethylurea is sourced from PubChem (CID 70422123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).