phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate

C32H28Cl2N4O6S — CID 67795197

IUPACphenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate
SMILESCCN(CC)C(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(NC(=O)Oc2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C32H28Cl2N4O6S/c1-3-38(4-2)30(40)35-21-14-16-23(17-15-21)45(42,43)27-19-20(33)18-25-28(27)36-29(39)32(25,24-12-8-9-13-26(24)34)37-31(41)44-22-10-6-5-7-11-22/h5-19H,3-4H2,1-2H3,(H,35,40)(H,36,39)(H,37,41)
InChIKeyBNKVNNJBZANSMM-UHFFFAOYSA-N
MW667.57 g/mol
LogP6.68
Rot. Bonds8

About phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate

phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate (PubChem CID 67795197) has the molecular formula C32H28Cl2N4O6S and a molecular weight of 667.57 g/mol. Its IUPAC name is phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate
PubChem CID67795197
Molecular FormulaC32H28Cl2N4O6S
Molecular Weight667.57 g/mol
Exact Mass666.11
IUPAC Namephenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate
SMILESCCN(CC)C(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(NC(=O)Oc2ccccc2)c2ccccc2Cl)cc1
InChIInChI=1S/C32H28Cl2N4O6S/c1-3-38(4-2)30(40)35-21-14-16-23(17-15-21)45(42,43)27-19-20(33)18-25-28(27)36-29(39)32(25,24-12-8-9-13-26(24)34)37-31(41)44-22-10-6-5-7-11-22/h5-19H,3-4H2,1-2H3,(H,35,40)(H,36,39)(H,37,41)
InChIKeyBNKVNNJBZANSMM-UHFFFAOYSA-N
XLogP6.68
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.57
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]amino]butanamide
CID 67796512
phenyl N-[4-(2,4-dichlorophenyl)sulfonylphenyl]carbamate
CID 142402098
3-[4-[3-(5-aminopentylamino)-5,6-dichloro-3-(2-chlorophenyl)-2-oxoindol-1-yl]sulfonylphenyl]-1,1-diethylurea;2,2,2-trifluoroacetic acid
CID 19076516
3-[4-[5,6-dichloro-3-(2-chlorophenyl)-3-(1,4-diazabicyclo[3.2.2]nonan-4-ylamino)-2-oxoindol-1-yl]sulfonylphenyl]-1,1-diethylurea
CID 141247781
3-[1-(4-aminophenyl)sulfonyl-5-chloro-3-(2-chlorophenyl)-2-oxoindol-3-yl]-1,1-diethylurea
CID 19076557
phenyl N-[5-[[4-[4-[[3,3-dimethyl-5-(phenoxycarbonylamino)cyclohepta-1,4,6-trien-1-yl]carbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]carbamate
CID 154949051
phenyl N-[3-methyl-5-[[4-[4-[[3-methyl-5-(phenoxycarbonylamino)phenyl]carbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]phenyl]carbamate
CID 171042586
3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea
CID 12942091
phenyl N-(7-chloro-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-yl)carbamate
CID 177310617
phenyl N-(3,3-dimethyl-2-oxo-1H-indol-6-yl)carbamate
CID 54087633
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 35522479
phenyl N-[4-chloro-3-(3-methyl-3-methylsulfonylbut-1-ynyl)phenyl]carbamate
CID 172555120

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate?
The IUPAC name of phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate (CID 67795197) is phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate.
What is the SMILES notation for phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate?
The canonical SMILES for phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate is CCN(CC)C(=O)Nc1ccc(S(=O)(=O)c2cc(Cl)cc3c2NC(=O)C3(NC(=O)Oc2ccccc2)c2ccccc2Cl)cc1.
What is the InChIKey of phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate?
The InChIKey is BNKVNNJBZANSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2N4O6S/c1-3-38(4-2)30(40)35-21-14-16-23(17-15-21)45(42,43)27-19-20(33)18-25-28(27)36-29(39)32(25,24-12-8-9-13-26(24)34)37-31(41)44-22-10-6-5-7-11-22/h5-19H,3-4H2,1-2H3,(H,35,40)(H,36,39)(H,37,41).
What are the key properties of phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate?
phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate has a molecular weight of 667.57 g/mol, XLogP of 6.68, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-chloro-3-(2-chlorophenyl)-7-[4-(diethylcarbamoylamino)phenyl]sulfonyl-2-oxo-1H-indol-3-yl]carbamate is sourced from PubChem (CID 67795197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).