N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide

C22H25ClF2N4O5S2 — CID 23767589

IUPACN-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(S(=O)(=O)c3ccc(F)cc3)CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C22H25ClF2N4O5S2/c23-19-13-18(9-10-20(19)25)36(33,34)29-12-11-28(35(31,32)17-7-1-14(24)2-8-17)22(29)21(30)27-16-5-3-15(26)4-6-16/h1-2,7-10,13,15-16,22H,3-6,11-12,26H2,(H,27,30)
InChIKeyBTNMSSYBOWBFDO-UHFFFAOYSA-N
MW563.05 g/mol
LogP2.03
Rot. Bonds6

About N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide (PubChem CID 23767589) has the molecular formula C22H25ClF2N4O5S2 and a molecular weight of 563.05 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
PubChem CID23767589
Molecular FormulaC22H25ClF2N4O5S2
Molecular Weight563.05 g/mol
Exact Mass562.09
IUPAC NameN-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(S(=O)(=O)c3ccc(F)cc3)CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C22H25ClF2N4O5S2/c23-19-13-18(9-10-20(19)25)36(33,34)29-12-11-28(35(31,32)17-7-1-14(24)2-8-17)22(29)21(30)27-16-5-3-15(26)4-6-16/h1-2,7-10,13,15-16,22H,3-6,11-12,26H2,(H,27,30)
InChIKeyBTNMSSYBOWBFDO-UHFFFAOYSA-N
XLogP2.03
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.05
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23765869
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23935371
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide
CID 8710855
N-(4-aminocyclohexyl)-1-(3,4-dichlorophenyl)sulfonyl-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23823527
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
2-N-(4-aminocyclohexyl)-1-N-(2,4-difluorophenyl)-3-methylsulfonylimidazolidine-1,2-dicarboxamide
CID 23795385
N-(2-aminoethyl)-1-(4-fluorophenyl)sulfonyl-3-propylsulfonylimidazolidine-2-carboxamide
CID 23883531
1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
CID 3562031
8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61235169

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide (CID 23767589) is N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide is NC1CCC(NC(=O)C2N(S(=O)(=O)c3ccc(F)cc3)CCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
The InChIKey is BTNMSSYBOWBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClF2N4O5S2/c23-19-13-18(9-10-20(19)25)36(33,34)29-12-11-28(35(31,32)17-7-1-14(24)2-8-17)22(29)21(30)27-16-5-3-15(26)4-6-16/h1-2,7-10,13,15-16,22H,3-6,11-12,26H2,(H,27,30).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide has a molecular weight of 563.05 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylimidazolidine-2-carboxamide is sourced from PubChem (CID 23767589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).