[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate

C24H27Cl3N4O4S — CID 25032613

IUPAC[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate
SMILESCCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl3N4O4S/c1-3-30(13-4-12-29-14-11-28-17-29)24(32)35-16-18(2)31(23-15-20(26)7-10-22(23)27)36(33,34)21-8-5-19(25)6-9-21/h5-11,14-15,17-18H,3-4,12-13,16H2,1-2H3/t18-/m1/s1
InChIKeyDIKBTZFFACQGQU-GOSISDBHSA-N
MW573.93 g/mol
LogP5.98
Rot. Bonds11

About [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate

[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate (PubChem CID 25032613) has the molecular formula C24H27Cl3N4O4S and a molecular weight of 573.93 g/mol. Its IUPAC name is [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate.

Molecular Properties

Compound Name[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate
PubChem CID25032613
Molecular FormulaC24H27Cl3N4O4S
Molecular Weight573.93 g/mol
Exact Mass572.08
IUPAC Name[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate
SMILESCCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl3N4O4S/c1-3-30(13-4-12-29-14-11-28-17-29)24(32)35-16-18(2)31(23-15-20(26)7-10-22(23)27)36(33,34)21-8-5-19(25)6-9-21/h5-11,14-15,17-18H,3-4,12-13,16H2,1-2H3/t18-/m1/s1
InChIKeyDIKBTZFFACQGQU-GOSISDBHSA-N
XLogP5.98
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.93
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-(3-imidazol-1-ylpropyl)-N-methylcarbamate
CID 25263496
[(2R,3R)-3-[5-chloro-N-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)anilino]butan-2-yl] N-(3-imidazol-1-ylpropyl)carbamate
CID 142014045
2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 22275206
4-chloro-N-(2,5-dichlorophenyl)-N-(5-ethylsulfonylpentan-2-yl)benzenesulfonamide
CID 22275618
[(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propyl] N-[3-(tetrazol-1-yl)propyl]carbamate;methane
CID 161186653
(5R)-5-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)-3-sulfanylhexanoic acid
CID 87985860
4-chloro-N-(2,5-dichlorophenyl)-N-[(2R)-5-(diethylsulfamoyl)pentan-2-yl]benzenesulfonamide
CID 23401687
tert-butyl 5-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)hexanoate
CID 22275971
methyl 3-[(4R)-4-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)pentyl]-1,3-thiazolidine-2-carboxylate
CID 23401667
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
[(2R)-2-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)propyl] pyridine-4-carboxylate
CID 141028061
4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide
CID 22275486

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate?
The IUPAC name of [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate (CID 25032613) is [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate.
What is the SMILES notation for [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate?
The canonical SMILES for [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate is CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate?
The InChIKey is DIKBTZFFACQGQU-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27Cl3N4O4S/c1-3-30(13-4-12-29-14-11-28-17-29)24(32)35-16-18(2)31(23-15-20(26)7-10-22(23)27)36(33,34)21-8-5-19(25)6-9-21/h5-11,14-15,17-18H,3-4,12-13,16H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate?
[(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate has a molecular weight of 573.93 g/mol, XLogP of 5.98, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(2,5-dichloro-N-(4-chlorophenyl)sulfonylanilino)propyl] N-ethyl-N-(3-imidazol-1-ylpropyl)carbamate is sourced from PubChem (CID 25032613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).