2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide

C22H26ClN3O3S — CID 1370011

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-17-11-13-21(14-12-17)30(28,29)26(20-10-6-7-18(23)15-20)16-22(27)25-24-19-8-4-2-3-5-9-19/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,25,27)
InChIKeyHKTKRBOAWGOBDP-UHFFFAOYSA-N
MW447.99 g/mol
LogP4.67
Rot. Bonds6

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide (PubChem CID 1370011) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
PubChem CID1370011
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-17-11-13-21(14-12-17)30(28,29)26(20-10-6-7-18(23)15-20)16-22(27)25-24-19-8-4-2-3-5-9-19/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,25,27)
InChIKeyHKTKRBOAWGOBDP-UHFFFAOYSA-N
XLogP4.67
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.99
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(cyclooctylideneamino)acetamide
CID 126118023
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1-methylpiperidin-4-ylidene)amino]acetamide
CID 2858984
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(cyclododecylideneamino)acetamide
CID 124542684
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(cyclohexylideneamino)acetamide
CID 3838083
N-(cyclooctylideneamino)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1103816
N-[(4-tert-butylcyclohexylidene)amino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126118642
N-(cyclododecylideneamino)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589335
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide (CID 1370011) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide?
The InChIKey is HKTKRBOAWGOBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-17-11-13-21(14-12-17)30(28,29)26(20-10-6-7-18(23)15-20)16-22(27)25-24-19-8-4-2-3-5-9-19/h6-7,10-15H,2-5,8-9,16H2,1H3,(H,25,27).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide has a molecular weight of 447.99 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide is sourced from PubChem (CID 1370011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).