N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H21N3O3S — CID 112771015

IUPACN-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H21N3O3S/c1-24-13-12-22-21(24)20(25)16-6-9-18(10-7-16)23-28(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h6-14,23H,2-5H2,1H3
InChIKeyNLMJNBXHVYNBDB-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 112771015) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID112771015
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C21H21N3O3S/c1-24-13-12-22-21(24)20(25)16-6-9-18(10-7-16)23-28(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h6-14,23H,2-5H2,1H3
InChIKeyNLMJNBXHVYNBDB-UHFFFAOYSA-N
XLogP3.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55540409
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 30970419
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
N-cyclopropyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]piperidine-4-carboxamide
CID 20973102
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
N-[4-(pyridin-2-ylmethylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112982966

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 112771015) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is NLMJNBXHVYNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-24-13-12-22-21(24)20(25)16-6-9-18(10-7-16)23-28(26,27)19-11-8-15-4-2-3-5-17(15)14-19/h6-14,23H,2-5H2,1H3.
What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 112771015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).