4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide

C16H18ClN3O3S — CID 68722088

IUPAC4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1ccc(-c2ccc(N)cn2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-16(2,3)24(22,23)20-15(21)10-4-6-12(13(17)8-10)14-7-5-11(18)9-19-14/h4-9H,18H2,1-3H3,(H,20,21)
InChIKeyUKGPXZVOVVLLMQ-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.84
Rot. Bonds3

About 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide

4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide (PubChem CID 68722088) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide.

Molecular Properties

Compound Name4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide
PubChem CID68722088
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1ccc(-c2ccc(N)cn2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c1-16(2,3)24(22,23)20-15(21)10-4-6-12(13(17)8-10)14-7-5-11(18)9-19-14/h4-9H,18H2,1-3H3,(H,20,21)
InChIKeyUKGPXZVOVVLLMQ-UHFFFAOYSA-N
XLogP2.84
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(5-amino-2-pyridinyl)phenol
CID 175138948
N-tert-butylsulfonyl-5-chloro-6-[1-(3-phenoxyphenyl)ethoxy]pyridine-3-carboxamide
CID 176879048
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286
3-chloro-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64642114
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
methyl 2-[(4-chloro-3-methylsulfonylbenzoyl)amino]-4-methylpentanoate
CID 4825679

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide?
The IUPAC name of 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide (CID 68722088) is 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide.
What is the SMILES notation for 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide?
The canonical SMILES for 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide is CC(C)(C)S(=O)(=O)NC(=O)c1ccc(-c2ccc(N)cn2)c(Cl)c1.
What is the InChIKey of 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide?
The InChIKey is UKGPXZVOVVLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-16(2,3)24(22,23)20-15(21)10-4-6-12(13(17)8-10)14-7-5-11(18)9-19-14/h4-9H,18H2,1-3H3,(H,20,21).
What are the key properties of 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide?
4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide has a molecular weight of 367.86 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-pyridinyl)-N-tert-butylsulfonyl-3-chlorobenzamide is sourced from PubChem (CID 68722088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).