N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C20H21ClN4O4S — CID 42905920

IUPACN-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2Cl)CC(C)O1
InChIInChI=1S/C20H21ClN4O4S/c1-12-10-25(11-13(2)29-12)30(27,28)18-9-14(7-8-15(18)21)19(26)24-20-22-16-5-3-4-6-17(16)23-20/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,26)
InChIKeyDTUQYTKDSDCNRV-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.27
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 42905920) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID42905920
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC NameN-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2Cl)CC(C)O1
InChIInChI=1S/C20H21ClN4O4S/c1-12-10-25(11-13(2)29-12)30(27,28)18-9-14(7-8-15(18)21)19(26)24-20-22-16-5-3-4-6-17(16)23-20/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,26)
InChIKeyDTUQYTKDSDCNRV-UHFFFAOYSA-N
XLogP3.27
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 16545821
N-(1H-benzimidazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2583459
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55796488
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-propoxyphenyl)benzamide
CID 41306963
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 16551113
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-N-(3,4-diethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 43009398
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16550177

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 42905920) is N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2Cl)CC(C)O1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is DTUQYTKDSDCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-12-10-25(11-13(2)29-12)30(27,28)18-9-14(7-8-15(18)21)19(26)24-20-22-16-5-3-4-6-17(16)23-20/h3-9,12-13H,10-11H2,1-2H3,(H2,22,23,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 448.93 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 42905920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).